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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21NO6S2/c1-26-18-8-13(22-30-6-7-31-22)2-4-17(18)29-21(25)14-9-20(24)23(11-14)15-3-5-16-19(10-15)28-12-27-16/h2-5,8,10,14,22H,6-7,9,11-12H2,1H3