[2-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(3-carbethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c1-2-29-23(28)19-17-10-9-14-6-3-4-8-16(14)20(17)31-21(19)25-18(26)13-30-22(27)15-7-5-11-24-12-15/h3-8,11-12H,2,9-10,13H2,1H3,(H,25,26)