2-methylpropyl 3-(4-butylphenyl)carbonyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 3-(4-butylphenyl)carbonyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(4-butylbenzoyl)-2-(2-chlorophenyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-butylphenyl)-oxomethyl]-2-(2-chlorophenyl)-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-butylbenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-butylbenzoyl)-2-(2-chlorophenyl)thiazolidine-4-carboxylic acid isobutyl ester Formula: C25H30ClNO3S MolecularWeight: 460.0286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=CC=C3Cl)C(=O)OCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=CC=C3Cl)C(=O)OCC(C)C

InChI

InChI=1S/C25H30ClNO3S/c1-4-5-8-18-11-13-19(14-12-18)23(28)27-22(25(29)30-15-17(2)3)16-31-24(27)20-9-6-7-10-21(20)26/h6-7,9-14,17,22,24H,4-5,8,15-16H2,1-3H3