[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H21NO5S2/c1-14-23-16(12-29-14)13-30-18-7-4-15(5-8-18)22(25)28-11-20(24)19-10-17(26-2)6-9-21(19)27-3/h4-10,12H,11,13H2,1-3H3