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

Systemtic Name: ethyl 4-[3-(4-acetamidophenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(4-acetamidophenyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4-acetamidophenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-acetamidophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(4-acetamidophenyl)thio]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-3-28-21(27)14-4-8-16(9-5-14)23-19(25)12-18(20(23)26)29-17-10-6-15(7-11-17)22-13(2)24/h4-11,18H,3,12H2,1-2H3,(H,22,24)