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

Systemtic Name: methyl 6-(3-phenylprop-2-ynoyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(3-phenylprop-2-ynoyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-(1-oxo-3-phenylprop-2-ynyl)-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-phenylprop-2-ynoyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(3-phenylpropioloyl)-2-pyrrolidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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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)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C#CC3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O5S2/c1-29-21(26)20-17-11-14-23(19(25)10-9-16-7-3-2-4-8-16)15-18(17)30-22(20)31(27,28)24-12-5-6-13-24/h2-4,7-8H,5-6,11-15H2,1H3