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

Systemtic Name: 2-methylpropyl 2-(3-chlorophenyl)-3-(4-hexylphenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-(3-chlorophenyl)-3-(4-hexylbenzoyl)thiazolidine-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-[(4-hexylphenyl)-oxomethyl]-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(3-chlorophenyl)-3-(4-hexylbenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-(4-hexylbenzoyl)thiazolidine-4-carboxylic acid isobutyl ester Formula: C27H34ClNO3S MolecularWeight: 488.08176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC(=CC=C3)Cl)C(=O)OCC(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC(=CC=C3)Cl)C(=O)OCC(C)C

InChI

InChI=1S/C27H34ClNO3S/c1-4-5-6-7-9-20-12-14-21(15-13-20)25(30)29-24(27(31)32-17-19(2)3)18-33-26(29)22-10-8-11-23(28)16-22/h8,10-16,19,24,26H,4-7,9,17-18H2,1-3H3