butyl (2S,4S)-3-(1,3-benzodioxol-5-ylcarbonyl)-2-phenyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: butyl (2S,4S)-3-(1,3-benzodioxol-5-ylcarbonyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: butyl (2S,4S)-3-(1,3-benzodioxole-5-carbonyl)-2-phenyl-thiazolidine-4-carboxylate CAS Name: (2S,4S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-2-phenyl-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl (2S,4S)-3-(1,3-benzodioxole-5-carbonyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4S)-2-phenyl-3-piperonyloyl-thiazolidine-4-carboxylic acid butyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO5S/c1-2-3-11-26-22(25)17-13-29-21(15-7-5-4-6-8-15)23(17)20(24)16-9-10-18-19(12-16)28-14-27-18/h4-10,12,17,21H,2-3,11,13-14H2,1H3/t17-,21+/m1/s1