[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C22H23NO4S2/c1-15-7-9-16(10-8-15)29-12-11-23-20(24)13-26-22(25)21-18(14-28-2)17-5-3-4-6-19(17)27-21/h3-10H,11-14H2,1-2H3,(H,23,24)