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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-butanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-butanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-(1-oxobutyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-butanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-butyryl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S2/c1-3-8-16(22)20-12-9-14-15(13-20)27-19(17(14)18(23)26-2)28(24,25)21-10-6-4-5-7-11-21/h3-13H2,1-2H3