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

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-propyl-2-[3-(p-tolylsulfonyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-propyl-2-(3-tosylpropanoylamino)-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)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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