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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H16ClN3O3S/c1-23-15(22)12(8-10-6-4-3-5-7-10)19-14(21)13-11(17)9-18-16(20-13)24-2/h3-7,9,12H,8H2,1-2H3,(H,19,21)/t12-/m0/s1