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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-(1-methylcyclopropyl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(1-methylcyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-[(1-methylcyclopropyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(1-methylcyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-(1-methylcyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1(CC1)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H28N2O5S2/c1-20(8-9-20)19(24)21-12-7-14-15(13-21)28-18(16(14)17(23)27-2)29(25,26)22-10-5-3-4-6-11-22/h3-13H2,1-2H3