2-[4-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-pyrimidin-2-ylsulfanyl-propanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-pyrimidin-2-ylsulfanyl-propanoic acid Openeye Name: 2-[4-(4-chlorophenyl)oxazol-5-yl]-2-pyrimidin-2-ylsulfanyl-propanoic acid CAS Name: 2-[4-(4-chlorophenyl)-5-oxazolyl]-2-(2-pyrimidinylthio)propanoic acid IUPAC Name: 2-[4-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-pyrimidin-2-ylsulfanylpropanoic acid Traditional Name: 2-[4-(4-chlorophenyl)oxazol-5-yl]-2-(2-pyrimidylthio)propionic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N=CO1)C2=CC=C(C=C2)Cl)(C(=O)O)SC3=NC=CC=N3

Isomeric SMILES

CC(C1=C(N=CO1)C2=CC=C(C=C2)Cl)(C(=O)O)SC3=NC=CC=N3

InChI

InChI=1S/C16H12ClN3O3S/c1-16(14(21)22,24-15-18-7-2-8-19-15)13-12(20-9-23-13)10-3-5-11(17)6-4-10/h2-9H,1H3,(H,21,22)