[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H18N2O6S3 MolecularWeight: 478.56172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C20H18N2O6S3/c1-29-17-6-3-2-5-15(17)21-18(24)12-28-20(25)14-11-13(8-9-16(14)23)22-31(26,27)19-7-4-10-30-19/h2-11,22-23H,12H2,1H3,(H,21,24)