Compound C13H12N2O5S

ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-1,3-benzothiazole-6-carboxylate

CAS: 104388-88-7

Molecular Formula	`C13H12N2O5S`
Molecular Weight	308.31 g/mol
LogP	2.4
Topological Polar Surface Area	123.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	308.0467
Heavy Atoms	21
Complexity	431.0

Chemical Identifiers

CAS Number	104388-88-7
SMILES	`CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)OC`
InChIKey	`YXSXKZMPSNWLFW-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H12N2O5S (CAS: 104388-88-7) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.31 g/mol. Its IUPAC systematic name is ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-1,3-benzothiazole-6-carboxylate. LogP 2.4 Topological Polar Surface Area 123.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 308.0467 Heavy Atoms 21 Complexity 431.0 InChI Key: YXSXKZMPSNWLFW-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)OC.

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