methyl 2-(2-pyrimidin-2-ylsulfanylethanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-(2-pyrimidin-2-ylsulfanylethanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[[2-(2-pyrimidylthio)acetyl]amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C20H17N3O3S2/c1-26-19(25)17-16-13-6-3-2-5-12(13)7-8-14(16)28-18(17)23-15(24)11-27-20-21-9-4-10-22-20/h2-6,9-10H,7-8,11H2,1H3,(H,23,24)