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

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(p-tolyl)isoxazol-5-yl]methylsulfanyl]acetic acid CAS Name: 2-[[3-(4-methylphenyl)-5-isoxazolyl]methylthio]acetic acid IUPAC Name: 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-(p-tolyl)isoxazol-5-yl]methylthio]acetic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S/c1-9-2-4-10(5-3-9)12-6-11(17-14-12)7-18-8-13(15)16/h2-6H,7-8H2,1H3,(H,15,16)