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

Systemtic Name: methyl 2-(azocan-1-ylsulfonyl)-6-(3-methylsulfanylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azocan-1-ylsulfonyl)-6-(3-methylsulfanylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azocanylsulfonyl)-6-[3-(methylthio)-1-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ylsulfonyl)-6-(3-methylsulfanylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azocan-1-ylsulfonyl)-6-[3-(methylthio)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H30N2O5S3 MolecularWeight: 474.6576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S3/c1-27-19(24)18-15-8-12-21(17(23)9-13-28-2)14-16(15)29-20(18)30(25,26)22-10-6-4-3-5-7-11-22/h3-14H2,1-2H3