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

Systemtic Name: butyl 3-(1,3-benzodioxol-5-ylcarbonyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5S/c1-2-3-9-27-22(26)17-12-30-21(15-5-4-6-16(23)10-15)24(17)20(25)14-7-8-18-19(11-14)29-13-28-18/h4-8,10-11,17,21H,2-3,9,12-13H2,1H3