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

Systemtic Name: methyl 2-(pyridin-4-ylcarbonylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-(pyridine-4-carbonylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-isonicotinamido-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3S/c1-25-20(24)16-15-7-6-12-4-2-3-5-14(12)17(15)26-19(16)22-18(23)13-8-10-21-11-9-13/h2-5,8-11H,6-7H2,1H3,(H,22,23)