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

Systemtic Name: ethyl 5-[2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H14N6O3S2 MolecularWeight: 426.47216

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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#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#N)C#N)C

InChI

InChI=1S/C18H14N6O3S2/c1-3-27-18(26)14-9(2)12(7-21)17(29-14)23-13(25)8-28-16-11(6-20)4-10(5-19)15(22)24-16/h4H,3,8H2,1-2H3,(H2,22,24)(H,23,25)