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

Systemtic Name: ethyl 6-ethyl-2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[4-(p-tolylsulfanyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-ethyl-2-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-ethyl-2-[4-(p-tolylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N2O3S2/c1-4-25-13-12-18-19(15-25)30-22(21(18)23(27)28-5-2)24-20(26)7-6-14-29-17-10-8-16(3)9-11-17/h8-11H,4-7,12-15H2,1-3H3,(H,24,26)