2-methylpropyl 3-(1,3-benzodioxol-5-ylcarbonyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 3-(1,3-benzodioxol-5-ylcarbonyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(1,3-benzodioxole-5-carbonyl)-2-(3-chlorophenyl)thiazolidine-4-carboxylate CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-2-(3-chlorophenyl)-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(1,3-benzodioxole-5-carbonyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-piperonyloyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClNO5S/c1-13(2)10-27-22(26)17-11-30-21(15-4-3-5-16(23)8-15)24(17)20(25)14-6-7-18-19(9-14)29-12-28-18/h3-9,13,17,21H,10-12H2,1-2H3