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

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

CCCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5S2/c1-3-12-24-13-11-17-18(15-24)30-21(20(17)22(26)29-2)23-19(25)10-7-14-31(27,28)16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,23,25)