ethyl 2-(pyridin-4-ylcarbonylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-(pyridin-4-ylcarbonylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[oxo(pyridin-4-yl)methyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-isonicotinamido-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H18N2O3S/c1-2-26-21(25)17-16-8-7-13-5-3-4-6-15(13)18(16)27-20(17)23-19(24)14-9-11-22-12-10-14/h3-6,9-12H,2,7-8H2,1H3,(H,23,24)