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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-24-16-9-8-14(12-17(16)25-2)10-11-21-19(22)13-26-20(23)15-6-4-5-7-18(15)27-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)