methyl 7-methoxy-2-[(2-methylpyrazol-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 7-methoxy-2-[(2-methylpyrazol-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 7-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 7-methoxy-2-[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 7-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-23-14(8-9-21-23)18(24)22-19-17(20(25)27-3)16-13-6-5-12(26-2)10-11(13)4-7-15(16)28-19/h5-6,8-10H,4,7H2,1-3H3,(H,22,24)