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

Systemtic Name: 2-methylpropyl 3-(4-butylphenyl)carbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(4-butylbenzoyl)-2-isopropyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-butylphenyl)-oxomethyl]-2-propan-2-yl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-butylbenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-butylbenzoyl)-2-isopropyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C(C)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C(C)C)C(=O)OCC(C)C

InChI

InChI=1S/C22H33NO3S/c1-6-7-8-17-9-11-18(12-10-17)20(24)23-19(14-27-21(23)16(4)5)22(25)26-13-15(2)3/h9-12,15-16,19,21H,6-8,13-14H2,1-5H3