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

Systemtic Name: methyl 2-(3-pyridin-2-ylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[3-(2-pyridylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(2-pyridinylthio)propyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-pyridin-2-ylsulfanylpropanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[3-(2-pyridylthio)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)CCSC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)CCSC4=CC=CC=N4

InChI

InChI=1S/C22H20N2O3S2/c1-27-22(26)19-16-10-9-14-6-2-3-7-15(14)20(16)29-21(19)24-17(25)11-13-28-18-8-4-5-12-23-18/h2-8,12H,9-11,13H2,1H3,(H,24,25)