[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC)Br

InChI

InChI=1S/C16H15BrN2O3S/c1-10-5-6-11(8-13(10)17)19-14(20)9-22-16(21)12-4-3-7-18-15(12)23-2/h3-8H,9H2,1-2H3,(H,19,20)