[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4S/c1-14-5-3-4-6-19(14)24-21(25)13-28-23(26)20-12-16-8-7-15-11-17(27-2)9-10-18(15)22(16)29-20/h3-6,9-12H,7-8,13H2,1-2H3,(H,24,25)