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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-pyrazin-2-ylcarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(pyrazine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-[oxo(2-pyrazinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(pyrazine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-pyrazinoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=NC=CN=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=NC=CN=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H24N4O5S2/c1-29-19(26)17-14-6-11-23(18(25)15-12-21-7-8-22-15)13-16(14)30-20(17)31(27,28)24-9-4-2-3-5-10-24/h7-8,12H,2-6,9-11,13H2,1H3