3-heptanoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-heptanoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-3-heptanoyl-thiazolidine-4-carboxylic acid CAS Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-oxoheptyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-heptanoyl-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-3-enanthyl-thiazolidine-4-carboxylic acid Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5S/c1-3-4-5-9-12-23(27)26-20(25(28)29)17-32-24(26)19-13-14-21(22(15-19)30-2)31-16-18-10-7-6-8-11-18/h6-8,10-11,13-15,20,24H,3-5,9,12,16-17H2,1-2H3,(H,28,29)