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

Systemtic Name: methyl 6-ethyl-2-[4-(phenylsulfonyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-3-23-12-11-16-17(14-23)29-20(19(16)21(25)28-2)22-18(24)10-7-13-30(26,27)15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,22,24)