ethyl 4-[(3S)-3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3S)-3-(4-methylphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3S)-2,5-dioxo-3-(p-tolylsulfanyl)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-[(4-methylphenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4-methylphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-(p-tolylthio)pyrrolidino]benzoic acid ethyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=CC=C(C=C3)C

InChI

InChI=1S/C20H19NO4S/c1-3-25-20(24)14-6-8-15(9-7-14)21-18(22)12-17(19(21)23)26-16-10-4-13(2)5-11-16/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1