[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18BrN3O3S2 MolecularWeight: 492.40922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CS3)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CS3)C)Br

InChI

InChI=1S/C20H18BrN3O3S2/c1-11-6-7-14(13(21)9-11)23-16(25)10-27-20(26)17-12(2)22-18(24-19(17)28-3)15-5-4-8-29-15/h4-9H,10H2,1-3H3,(H,23,25)