[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C23H19NO4S/c1-14(25)16-6-4-7-18(11-16)24-21(26)13-28-23(27)20-12-17-10-9-15-5-2-3-8-19(15)22(17)29-20/h2-8,11-12H,9-10,13H2,1H3,(H,24,26)