methyl 2-[(6-chloranylpyridin-3-yl)carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-[(6-chloranylpyridin-3-yl)carbonylamino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(6-chloropyridine-3-carbonyl)amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-chloropyridine-3-carbonyl)amino]-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[(6-chloronicotinoyl)amino]-7-methoxy-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O4S/c1-27-13-5-6-14-11(9-13)3-7-15-17(14)18(21(26)28-2)20(29-15)24-19(25)12-4-8-16(22)23-10-12/h4-6,8-10H,3,7H2,1-2H3,(H,24,25)