[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)SC)C

InChI

InChI=1S/C18H20ClN3O3S/c1-9-6-10(2)14(11(3)7-9)21-16(23)12(4)25-17(24)15-13(19)8-20-18(22-15)26-5/h6-8,12H,1-5H3,(H,21,23)