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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(2-methyl-6-nitroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5S/c1-4-28-19(25)14-8-13(9-20)18(21-12(14)3)29-10-16(24)22-17-11(2)6-5-7-15(17)23(26)27/h5-8H,4,10H2,1-3H3,(H,22,24)