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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(5-chloro-2,4-dimethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H22ClNO5S2 MolecularWeight: 479.99678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C4SCCS4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C4SCCS4)Cl)OC

InChI

InChI=1S/C22H22ClNO5S2/c1-27-18-11-19(28-2)17(10-16(18)23)24-12-14(9-20(24)25)21(26)29-15-5-3-13(4-6-15)22-30-7-8-31-22/h3-6,10-11,14,22H,7-9,12H2,1-2H3