[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H22ClNO4S MolecularWeight: 467.96448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)CCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)CCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO4S/c1-17(25(30)18-7-9-19(26)10-8-18)31-24(29)16-15-23(28)27-20-11-13-22(14-12-20)32-21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,27,28)