butyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-pyrrolidin-1-yl-pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-pyrrolidin-1-yl-pyrrol-1-yl]benzoate Openeye Name: butyl 4-(2,5-dioxo-3-phenylsulfanyl-4-pyrrolidin-1-yl-pyrrol-1-yl)benzoate CAS Name: 4-[2,5-dioxo-3-(phenylthio)-4-(1-pyrrolidinyl)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-(2,5-dioxo-3-phenylsulfanyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-pyrrolidino-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C25H26N2O4S/c1-2-3-17-31-25(30)18-11-13-19(14-12-18)27-23(28)21(26-15-7-8-16-26)22(24(27)29)32-20-9-5-4-6-10-20/h4-6,9-14H,2-3,7-8,15-17H2,1H3