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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO5S/c1-25-18-9-8-17(12-19(18)26-2)13-21(24)27-14-20(23)22-10-11-28-15-16-6-4-3-5-7-16/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,23)