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

Systemtic Name: ethyl 6-ethyl-2-[4-(phenylsulfonyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(4-besylbutanoylamino)-6-ethyl-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)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-3-24-13-12-17-18(15-24)30-21(20(17)22(26)29-4-2)23-19(25)11-8-14-31(27,28)16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3,(H,23,25)