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

Systemtic Name: methyl 2-(azocan-1-ylsulfonyl)-6-but-3-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azocan-1-ylsulfonyl)-6-but-3-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azocanylsulfonyl)-6-(1-oxobut-3-enyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ylsulfonyl)-6-but-3-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azocan-1-ylsulfonyl)-6-but-3-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)CC=C)S(=O)(=O)N3CCCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)CC=C)S(=O)(=O)N3CCCCCCC3

InChI

InChI=1S/C20H28N2O5S2/c1-3-9-17(23)21-13-10-15-16(14-21)28-20(18(15)19(24)27-2)29(25,26)22-11-7-5-4-6-8-12-22/h3H,1,4-14H2,2H3