[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)C

InChI

InChI=1S/C24H23NO3S/c1-3-16-9-6-7-15(2)22(16)25-21(26)14-28-24(27)20-13-18-12-11-17-8-4-5-10-19(17)23(18)29-20/h4-10,13H,3,11-12,14H2,1-2H3,(H,25,26)