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

Systemtic Name: methyl 3-cyano-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: methyl 3-cyano-2-[3-(p-tolylsulfanyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(p-tolylthio)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC)C#N

InChI

InChI=1S/C20H21N3O3S2/c1-13-3-5-14(6-4-13)27-10-8-18(24)22-19-16(11-21)15-7-9-23(20(25)26-2)12-17(15)28-19/h3-6H,7-10,12H2,1-2H3,(H,22,24)