[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C27H25NO5S/c1-18(29)21-9-6-10-22(17-21)28-27(32)26(20-7-4-3-5-8-20)33-25(31)16-15-24(30)19-11-13-23(34-2)14-12-19/h3-14,17,26H,15-16H2,1-2H3,(H,28,32)