[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)OC

InChI

InChI=1S/C22H23NO5S/c1-15-3-6-18(7-4-15)29-10-9-23-21(24)14-28-22(25)11-16-13-27-20-12-17(26-2)5-8-19(16)20/h3-8,12-13H,9-11,14H2,1-2H3,(H,23,24)