(4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate

CAS: 50272-96-3

Molecular Formula	`C23H21N3O5S`
Molecular Weight	451.5 g/mol
LogP	4.3
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	451.12018
Heavy Atoms	32
Complexity	796.0

Chemical Identifiers

CAS Number	50272-96-3
SMILES	`CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C3C(C2=O)N=C(S3)CC4=CC=CC=C4`
InChIKey	`VQOPKBVRTFJEKQ-UHFFFAOYSA-N`

📖 Product Overview

(4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate (CAS: 50272-96-3) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.5 g/mol. Its IUPAC systematic name is (4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate. LogP 4.3 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 8 Exact Mass 451.12018 Heavy Atoms 32 Complexity 796.0 InChI Key: VQOPKBVRTFJEKQ-UHFFFAOYSA-N. SMILES: CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C3C(C2=O)N=C(S3)CC4=CC=CC=C4.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate.

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