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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-(2-methyl-1-oxobutyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-(2-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S2/c1-4-14(2)18(23)21-12-9-15-16(13-21)28-20(17(15)19(24)27-3)29(25,26)22-10-7-5-6-8-11-22/h14H,4-13H2,1-3H3