propyl (2R,4S)-3-(4-pentylphenyl)carbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

Systemtic Name: propyl (2R,4S)-3-(4-pentylphenyl)carbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate Openeye Name: propyl (2R,4S)-2-isopropyl-3-(4-pentylbenzoyl)thiazolidine-4-carboxylate CAS Name: (2R,4S)-3-[oxo-(4-pentylphenyl)methyl]-2-propan-2-yl-4-thiazolidinecarboxylic acid propyl ester IUPAC Name: propyl (2R,4S)-3-(4-pentylbenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate Traditional Name: (2R,4S)-3-(4-amylbenzoyl)-2-isopropyl-thiazolidine-4-carboxylic acid propyl ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C(C)C)C(=O)OCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2[C@H](CS[C@@H]2C(C)C)C(=O)OCCC

InChI

InChI=1S/C22H33NO3S/c1-5-7-8-9-17-10-12-18(13-11-17)20(24)23-19(22(25)26-14-6-2)15-27-21(23)16(3)4/h10-13,16,19,21H,5-9,14-15H2,1-4H3/t19-,21-/m1/s1