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

Systemtic Name: 4-[[4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(2-methoxyanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(2-methoxyanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[[2-keto-2-(o-anisidino)ethyl]thio]anilino]butyric acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H20N2O5S/c1-26-16-5-3-2-4-15(16)21-18(23)12-27-14-8-6-13(7-9-14)20-17(22)10-11-19(24)25/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)(H,24,25)