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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O5S2/c1-4-24-12-11-17-18(14-24)30-21(20(17)22(26)29-3)23-19(25)6-5-13-31(27,28)16-9-7-15(2)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,23,25)