4-[[2-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[2-[[1-(2-methylanilino)-1-oxopropan-2-yl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[[2-keto-1-methyl-2-(o-toluidino)ethyl]thio]anilino]butyric acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=CC=CC=C2NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=CC=CC=C2NC(=O)CCC(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-13-7-3-4-8-15(13)22-20(26)14(2)27-17-10-6-5-9-16(17)21-18(23)11-12-19(24)25/h3-10,14H,11-12H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)