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

Systemtic Name: 3-(2-ethylhexanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-(2-ethylhexanoyl)thiazolidine-4-carboxylic acid CAS Name: 3-(2-ethyl-1-oxohexyl)-2-(4-phenylmethoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(2-ethylhexanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-(2-ethylhexanoyl)thiazolidine-4-carboxylic acid Formula: C25H31NO4S MolecularWeight: 441.58294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4S/c1-3-5-11-19(4-2)23(27)26-22(25(28)29)17-31-24(26)20-12-14-21(15-13-20)30-16-18-9-7-6-8-10-18/h6-10,12-15,19,22,24H,3-5,11,16-17H2,1-2H3,(H,28,29)