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

Systemtic Name: methyl 2-(azocan-1-ylsulfonyl)-6-propanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azocan-1-ylsulfonyl)-6-propanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azocanylsulfonyl)-6-(1-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ylsulfonyl)-6-propanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azocan-1-ylsulfonyl)-6-propionyl-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:

CCC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCCCCC3

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCCCCC3

InChI

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