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

Systemtic Name: methyl 4-[2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3S/c1-23-15(22)11-5-3-10(4-6-11)7-8-18-14(21)13-12(17)9-19-16(20-13)24-2/h3-6,9H,7-8H2,1-2H3,(H,18,21)