[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)OC

InChI

InChI=1S/C21H20N2O5S2/c1-26-16-7-14(8-17(9-16)27-2)23-20(24)10-28-21(25)18-5-3-4-6-19(18)30-12-15-11-29-13-22-15/h3-9,11,13H,10,12H2,1-2H3,(H,23,24)