[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2-hydroxy-4-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-4-(2-thienylsulfonylamino)benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C16H12N4O8S3 MolecularWeight: 484.48348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])O

InChI

InChI=1S/C16H12N4O8S3/c21-11-6-9(19-31(26,27)14-2-1-5-29-14)3-4-10(11)15(23)28-8-12(22)18-16-17-7-13(30-16)20(24)25/h1-7,19,21H,8H2,(H,17,18,22)