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

Systemtic Name: methyl 6-ethanoyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[[2-(p-tolylthio)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-12-4-6-14(7-5-12)27-11-17(24)21-19-18(20(25)26-3)15-8-9-22(13(2)23)10-16(15)28-19/h4-7H,8-11H2,1-3H3,(H,21,24)