2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-[4,5-bis(3,4-dimethoxyphenyl)thiazol-2-yl]-2-sulfanyl-acetic acid CAS Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-2-thiazolyl]-2-mercaptoacetic acid IUPAC Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylacetic acid Traditional Name: 2-[4,5-bis(3,4-dimethoxyphenyl)thiazol-2-yl]-2-mercapto-acetic acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(SC(=N2)C(C(=O)O)S)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(SC(=N2)C(C(=O)O)S)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H21NO6S2/c1-25-13-7-5-11(9-15(13)27-3)17-19(30-20(22-17)18(29)21(23)24)12-6-8-14(26-2)16(10-12)28-4/h5-10,18,29H,1-4H3,(H,23,24)