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

Systemtic Name: methyl 2-(azepan-1-ylsulfonyl)-6-(3-phenylprop-2-ynoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azepan-1-ylsulfonyl)-6-(3-phenylprop-2-ynoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azepanylsulfonyl)-6-(1-oxo-3-phenylprop-2-ynyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonyl)-6-(3-phenylprop-2-ynoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azepan-1-ylsulfonyl)-6-(3-phenylpropioloyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C#CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C#CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O5S2/c1-31-23(28)22-19-13-16-25(21(27)12-11-18-9-5-4-6-10-18)17-20(19)32-24(22)33(29,30)26-14-7-2-3-8-15-26/h4-6,9-10H,2-3,7-8,13-17H2,1H3