[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SC)OC

InChI

InChI=1S/C18H19NO5S/c1-22-14-9-8-12(10-15(14)23-2)19-17(20)11-24-18(21)13-6-4-5-7-16(13)25-3/h4-10H,11H2,1-3H3,(H,19,20)