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

Systemtic Name: methyl 3-[4-(4-chlorophenyl)-2-pyrimidin-2-ylsulfanyl-1,3-oxazol-5-yl]propanoate Openeye Name: methyl 3-[4-(4-chlorophenyl)-2-pyrimidin-2-ylsulfanyl-oxazol-5-yl]propanoate CAS Name: 3-[4-(4-chlorophenyl)-2-(2-pyrimidinylthio)-5-oxazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenyl)-2-pyrimidin-2-ylsulfanyl-1,3-oxazol-5-yl]propanoate Traditional Name: 3-[4-(4-chlorophenyl)-2-(2-pyrimidylthio)oxazol-5-yl]propionic acid methyl ester Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(N=C(O1)SC2=NC=CC=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC1=C(N=C(O1)SC2=NC=CC=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-23-14(22)8-7-13-15(11-3-5-12(18)6-4-11)21-17(24-13)25-16-19-9-2-10-20-16/h2-6,9-10H,7-8H2,1H3