methyl 3-[5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]propanoate

Systemtic Name: methyl 3-[5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]propanoate Openeye Name: methyl 3-[5-(4-methylsulfanylphenyl)isoxazol-4-yl]propanoate CAS Name: 3-[5-[4-(methylthio)phenyl]-4-isoxazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]propanoate Traditional Name: 3-[5-[4-(methylthio)phenyl]isoxazol-4-yl]propionic acid methyl ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(ON=C1)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)CCC1=C(ON=C1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C14H15NO3S/c1-17-13(16)8-5-11-9-15-18-14(11)10-3-6-12(19-2)7-4-10/h3-4,6-7,9H,5,8H2,1-2H3