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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (3R)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (3R)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@@H](CC2=O)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C22H23NO5S2/c1-26-17-5-3-4-16(12-17)23-13-15(11-20(23)24)21(25)28-18-7-6-14(10-19(18)27-2)22-29-8-9-30-22/h3-7,10,12,15,22H,8-9,11,13H2,1-2H3/t15-/m1/s1