Compound C16H16N2O6S2

3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 481649-28-9

Molecular Formula	`C16H16N2O6S2`
Molecular Weight	396.4 g/mol
LogP	-0.4
Topological Polar Surface Area	167.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	396.04498
Heavy Atoms	26
Complexity	680.0

Chemical Identifiers

CAS Number	481649-28-9
SMILES	`CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O`
InChIKey	`XIURVHNZVLADCM-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H16N2O6S2 (CAS: 481649-28-9) is a chemical compound with molecular formula C16H16N2O6S2 and molecular weight 396.4 g/mol. Its IUPAC systematic name is 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -0.4 Topological Polar Surface Area 167.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 396.04498 Heavy Atoms 26 Complexity 680.0 InChI Key: XIURVHNZVLADCM-UHFFFAOYSA-N. SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O.

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