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

Systemtic Name: ethyl 6-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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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=C(C=C2)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=C(C=C(C=C2)C)Br)C

InChI

InChI=1S/C19H18BrN3O3S/c1-4-26-19(25)14-8-13(9-21)18(22-12(14)3)27-10-17(24)23-16-6-5-11(2)7-15(16)20/h5-8H,4,10H2,1-3H3,(H,23,24)