[1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H20N2O5S3 MolecularWeight: 476.5889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S3/c1-14(20(24)22-17-6-3-4-7-18(17)29-2)28-21(25)15-9-11-16(12-10-15)23-31(26,27)19-8-5-13-30-19/h3-14,23H,1-2H3,(H,22,24)