ethyl 5-cyano-2-methyl-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(4-nitroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(4-nitroanilino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O5S/c1-3-27-18(24)15-8-12(9-19)17(20-11(15)2)28-10-16(23)21-13-4-6-14(7-5-13)22(25)26/h4-8H,3,10H2,1-2H3,(H,21,23)