methyl 2-(azocan-1-ylsulfonyl)-6-(2-methylpyrazol-3-yl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-(azocan-1-ylsulfonyl)-6-(2-methylpyrazol-3-yl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azocan-1-ylsulfonyl)-6-(2-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azocanylsulfonyl)-6-[(2-methyl-3-pyrazolyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ylsulfonyl)-6-(2-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azocan-1-ylsulfonyl)-6-(2-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCCCC4

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCCCC4

InChI

InChI=1S/C21H28N4O5S2/c1-23-16(8-10-22-23)19(26)24-13-9-15-17(14-24)31-21(18(15)20(27)30-2)32(28,29)25-11-6-4-3-5-7-12-25/h8,10H,3-7,9,11-14H2,1-2H3