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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-(2-methyl-1-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-isobutyryl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H28N2O5S2/c1-13(2)17(22)20-11-8-14-15(12-20)27-19(16(14)18(23)26-3)28(24,25)21-9-6-4-5-7-10-21/h13H,4-12H2,1-3H3