3-[6-methyl-4-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-4-oxo-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[4-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-[[4-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-5-yl]propionic acid Formula: C16H15F3N2O3S MolecularWeight: 372.36211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(F)(F)F)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(F)(F)F)CCC(=O)O

InChI

InChI=1S/C16H15F3N2O3S/c1-9-12(6-7-13(22)23)14(24)21-15(20-9)25-8-10-2-4-11(5-3-10)16(17,18)19/h2-5H,6-8H2,1H3,(H,22,23)(H,20,21,24)