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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H18N2O4S/c23-21(26)14-7-9-16(10-8-14)24-19(25)12-28-22(27)18-11-15-6-5-13-3-1-2-4-17(13)20(15)29-18/h1-4,7-11H,5-6,12H2,(H2,23,26)(H,24,25)