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

Systemtic Name: 4-[[4-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H21N3O5S/c1-13(24)21-14-2-4-15(5-3-14)23-19(26)12-29-17-8-6-16(7-9-17)22-18(25)10-11-20(27)28/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)