[4-(1,3-dithiolan-2-yl)phenyl] 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H21NO3S2/c1-14-2-6-17(7-3-14)22-13-16(12-19(22)23)20(24)25-18-8-4-15(5-9-18)21-26-10-11-27-21/h2-9,16,21H,10-13H2,1H3