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

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H16ClN3O3S/c1-9-6-4-5-7-12(9)19-14(21)10(2)23-15(22)13-11(17)8-18-16(20-13)24-3/h4-8,10H,1-3H3,(H,19,21)