methyl 3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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