2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3-(p-tolyl)isoxazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[3-(4-methylphenyl)-5-isoxazolyl]methylthio]propanoic acid IUPAC Name: 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(p-tolyl)isoxazol-5-yl]methylthio]propionic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)CSC(C)C(=O)O

InChI

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