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

Systemtic Name: 2-methylpropyl 3-(4-butylphenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(4-butylbenzoyl)-2-phenyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-butylphenyl)-oxomethyl]-2-phenyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-butylbenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-butylbenzoyl)-2-phenyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C25H31NO3S/c1-4-5-9-19-12-14-20(15-13-19)23(27)26-22(25(28)29-16-18(2)3)17-30-24(26)21-10-7-6-8-11-21/h6-8,10-15,18,22,24H,4-5,9,16-17H2,1-3H3