[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-25-16-7-8-18-15(13-26-19(18)12-16)11-21(24)27-14-20(23)22-9-10-28-17-5-3-2-4-6-17/h2-8,12-13H,9-11,14H2,1H3,(H,22,23)