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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-isobutyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-isobutyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C19H30N2O4S2 MolecularWeight: 414.5825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CN1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H30N2O4S2/c1-14(2)12-20-11-8-15-16(13-20)26-19(17(15)18(22)25-3)27(23,24)21-9-6-4-5-7-10-21/h14H,4-13H2,1-3H3