[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid [2-(3-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(=CC=C1)Cl)OC(=O)CCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

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

InChI

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