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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NCCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NCCSC2=CC=CC=C2)OC

InChI

InChI=1S/C20H23NO5S/c1-24-17-9-8-15(12-18(17)25-2)13-20(23)26-14-19(22)21-10-11-27-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)