ethyl 4-cyano-5-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-(3-cyano-6-methylpyridin-2-yl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-[(3-cyano-6-methyl-2-pyridyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=C(C=CC(=N2)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=C(C=CC(=N2)C)C#N

InChI

InChI=1S/C20H20N4O3S2/c1-5-15(28-18-13(9-21)8-7-11(3)23-18)17(25)24-19-14(10-22)12(4)16(29-19)20(26)27-6-2/h7-8,15H,5-6H2,1-4H3,(H,24,25)