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

Systemtic Name: 3-pentanoyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-pentanoyl-thiazolidine-4-carboxylic acid CAS Name: 3-(1-oxopentyl)-2-(4-phenylmethoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-pentanoyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-valeryl-thiazolidine-4-carboxylic acid Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-2-3-9-20(24)23-19(22(25)26)15-28-21(23)17-10-12-18(13-11-17)27-14-16-7-5-4-6-8-16/h4-8,10-13,19,21H,2-3,9,14-15H2,1H3,(H,25,26)