ethyl 6-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[(E)-4-amino-3-cyano-2-oxopent-3-enyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[(E)-4-amino-3-cyano-2-keto-pent-3-enyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C16H16N4O3S/c1-4-23-16(22)12-5-11(6-17)15(20-10(12)3)24-8-14(21)13(7-18)9(2)19/h5H,4,8,19H2,1-3H3/b13-9+