[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H24ClNO4S MolecularWeight: 481.99106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO4S/c1-18(26(31)19-7-5-8-20(27)17-19)32-25(30)12-6-11-24(29)28-21-13-15-23(16-14-21)33-22-9-3-2-4-10-22/h2-5,7-10,13-18H,6,11-12H2,1H3,(H,28,29)