2-methylpropyl 3-octanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 3-octanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-octanoyl-2-phenyl-thiazolidine-4-carboxylate CAS Name: 3-(1-oxooctyl)-2-phenyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-octanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-caprylyl-2-phenyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)OCC(C)C

Isomeric SMILES

CCCCCCCC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)OCC(C)C

InChI

InChI=1S/C22H33NO3S/c1-4-5-6-7-11-14-20(24)23-19(22(25)26-15-17(2)3)16-27-21(23)18-12-9-8-10-13-18/h8-10,12-13,17,19,21H,4-7,11,14-16H2,1-3H3