[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C22H19NO3S/c1-14-6-2-5-9-18(14)23-20(24)13-26-22(25)19-12-16-11-10-15-7-3-4-8-17(15)21(16)27-19/h2-9,12H,10-11,13H2,1H3,(H,23,24)