methyl 4-[(4-chloranyl-2-methylsulfanyl-pyrimidin-5-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(4-chloranyl-2-methylsulfanyl-pyrimidin-5-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(4-chloro-2-methylsulfanyl-pyrimidine-5-carbonyl)amino]benzoate CAS Name: 4-[[[4-chloro-2-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-2-methylsulfanylpyrimidine-5-carbonyl)amino]benzoate Traditional Name: 4-[[4-chloro-2-(methylthio)pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2Cl)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2Cl)SC

InChI

InChI=1S/C14H12ClN3O3S/c1-21-13(20)8-3-5-9(6-4-8)17-12(19)10-7-16-14(22-2)18-11(10)15/h3-7H,1-2H3,(H,17,19)