(5-methyl-2-propan-2-yl-phenyl) 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O2S/c1-9(2)11-6-5-10(3)7-13(11)21-15(20)12-8-18-16(22-4)19-14(12)17/h5-9H,1-4H3