methyl 2-[(2-methylpyrazol-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-[(2-methylpyrazol-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C19H17N3O3S/c1-22-13(9-10-20-22)17(23)21-18-16(19(24)25-2)15-12-6-4-3-5-11(12)7-8-14(15)26-18/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)