ethyl 5-[2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H16N6O3S2 MolecularWeight: 440.49874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C)C#N)C#N)C

InChI

InChI=1S/C19H16N6O3S2/c1-4-28-19(27)15-10(3)13(7-22)18(30-15)24-14(26)8-29-17-12(6-21)9(2)11(5-20)16(23)25-17/h4,8H2,1-3H3,(H2,23,25)(H,24,26)