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

Systemtic Name: 3-(2-ethylhexanoyl)-2-(3-methoxy-4-phenylmethoxy-phenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-3-(2-ethylhexanoyl)thiazolidine-4-carboxylic acid CAS Name: 3-(2-ethyl-1-oxohexyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(2-ethylhexanoyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-3-(2-ethylhexanoyl)thiazolidine-4-carboxylic acid Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO5S/c1-4-6-12-19(5-2)24(28)27-21(26(29)30)17-33-25(27)20-13-14-22(23(15-20)31-3)32-16-18-10-8-7-9-11-18/h7-11,13-15,19,21,25H,4-6,12,16-17H2,1-3H3,(H,29,30)