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

Systemtic Name: 2-methylpropyl 3-(4-butylphenyl)carbonyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-benzyl-3-(4-butylbenzoyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-butylphenyl)-oxomethyl]-2-(phenylmethyl)-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-benzyl-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-benzyl-3-(4-butylbenzoyl)thiazolidine-4-carboxylic acid isobutyl ester Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2CC3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2CC3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C26H33NO3S/c1-4-5-9-20-12-14-22(15-13-20)25(28)27-23(26(29)30-17-19(2)3)18-31-24(27)16-21-10-7-6-8-11-21/h6-8,10-15,19,23-24H,4-5,9,16-18H2,1-3H3