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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C26H25NO4S MolecularWeight: 447.546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H25NO4S/c1-18-8-10-20(11-9-18)26(30)19(2)31-25(29)17-16-24(28)27-21-12-14-23(15-13-21)32-22-6-4-3-5-7-22/h3-15,19H,16-17H2,1-2H3,(H,27,28)