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

Systemtic Name: ethyl 6-ethyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-ethyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-ethyl-2-[[2-(p-tolylthio)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O3S2/c1-4-23-11-10-16-17(12-23)28-20(19(16)21(25)26-5-2)22-18(24)13-27-15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3,(H,22,24)