butyl (2R,4S)-3-(4-butylphenyl)carbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2[C@H](CS[C@@H]2C(C)C)C(=O)OCCCC

InChI

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