[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NCCSC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO3S2/c1-14-3-6-16(7-4-14)26-10-9-22-20(23)12-25-21(24)18-13-27-19-11-15(2)5-8-17(18)19/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,22,23)