ethyl 6-ethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 6-ethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[3-(p-tolylsulfonyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-ethyl-2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-ethyl-2-(3-tosylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O5S2/c1-4-24-12-10-17-18(14-24)30-21(20(17)22(26)29-5-2)23-19(25)11-13-31(27,28)16-8-6-15(3)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,23,25)