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

Systemtic Name: methyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-propyl-2-[4-(p-tolylsulfonyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-propyl-2-(4-tosylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S2/c1-4-12-25-13-11-18-19(15-25)31-22(21(18)23(27)30-3)24-20(26)6-5-14-32(28,29)17-9-7-16(2)8-10-17/h7-10H,4-6,11-15H2,1-3H3,(H,24,26)