[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H14Br2N2O3S MolecularWeight: 474.16696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Br2N2O3S/c1-9-6-11(17)14(12(18)7-9)20-13(21)8-23-16(22)10-4-3-5-19-15(10)24-2/h3-7H,8H2,1-2H3,(H,20,21)