2-[[4-[1-[(2-methoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-[(2-methoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(2-methoxycarbonylanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(2-carbomethoxyanilino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H22N2O6S/c1-15(22(28)27-21-10-6-5-9-20(21)25(32)33-2)34-17-13-11-16(12-14-17)26-23(29)18-7-3-4-8-19(18)24(30)31/h3-15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)