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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpyrazol-3-yl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-[(2-methyl-3-pyrazolyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-(2-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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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)N4CCCCCC4

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H26N4O5S2/c1-22-15(7-9-21-22)18(25)23-12-8-14-16(13-23)30-20(17(14)19(26)29-2)31(27,28)24-10-5-3-4-6-11-24/h7,9H,3-6,8,10-13H2,1-2H3