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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=NC(=C(O2)CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN=C(N=C1)SC2=NC(=C(O2)CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O3S/c17-11-4-2-10(3-5-11)14-12(6-7-13(21)22)23-16(20-14)24-15-18-8-1-9-19-15/h1-5,8-9H,6-7H2,(H,21,22)