4-[[4-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(2-carbomethoxyanilino)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H20N2O6S/c1-28-20(27)15-4-2-3-5-16(15)22-18(24)12-29-14-8-6-13(7-9-14)21-17(23)10-11-19(25)26/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)(H,25,26)