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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(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-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C16H12N4O7S3 MolecularWeight: 468.48408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H12N4O7S3/c21-12(18-16-17-8-13(29-16)20(23)24)9-27-15(22)10-4-1-2-5-11(10)19-30(25,26)14-6-3-7-28-14/h1-8,19H,9H2,(H,17,18,21)