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

Systemtic Name: methyl 6-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-2-(1-piperidylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-2-(1-piperidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-ethyl-5-methylpyrazole-3-carbonyl)-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-2-piperidinosulfonyl-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:

CCN1C(=CC(=N1)C)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4O5S2/c1-4-25-16(12-14(2)22-25)19(26)23-11-8-15-17(13-23)31-21(18(15)20(27)30-3)32(28,29)24-9-6-5-7-10-24/h12H,4-11,13H2,1-3H3