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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-(3-methylsulfanylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(3-methylsulfanylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-[3-(methylthio)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(3-methylsulfanylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-[3-(methylthio)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C19H30N2O4S3 MolecularWeight: 446.6475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)CCCSC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)CCCSC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H30N2O4S3/c1-25-18(22)17-15-8-12-20(9-7-13-26-2)14-16(15)27-19(17)28(23,24)21-10-5-3-4-6-11-21/h3-14H2,1-2H3