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

Systemtic Name: ethyl 6-methyl-2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-methyl-2-[4-(p-tolylsulfanyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-methyl-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-methyl-2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-methyl-2-[4-(p-tolylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O3S2/c1-4-27-22(26)20-17-11-12-24(3)14-18(17)29-21(20)23-19(25)6-5-13-28-16-9-7-15(2)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,23,25)