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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-15-3-6-18(7-4-15)28-10-9-23-21(24)14-27-22(25)12-17-13-26-20-11-16(2)5-8-19(17)20/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,23,24)