3-(3-methylbutanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(3-methylbutanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-(3-methylbutanoyl)thiazolidine-4-carboxylic acid CAS Name: 3-(3-methyl-1-oxobutyl)-2-(4-phenylmethoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(3-methylbutanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-isovaleryl-thiazolidine-4-carboxylic acid Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CSC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1C(CSC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-15(2)12-20(24)23-19(22(25)26)14-28-21(23)17-8-10-18(11-9-17)27-13-16-6-4-3-5-7-16/h3-11,15,19,21H,12-14H2,1-2H3,(H,25,26)