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

Systemtic Name: methyl 3-cyano-2-[2-(4-methylphenyl)sulfanylethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: methyl 3-cyano-2-[[2-(p-tolylsulfanyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[[2-(p-tolylthio)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S2/c1-12-3-5-13(6-4-12)26-11-17(23)21-18-15(9-20)14-7-8-22(19(24)25-2)10-16(14)27-18/h3-6H,7-8,10-11H2,1-2H3,(H,21,23)