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

Systemtic Name: 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]phenyl]acetic acid CAS Name: 2-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]acetic acid IUPAC Name: 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]acetic acid Traditional Name: 2-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]phenyl]acetic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2CC(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2CC(=O)O

InChI

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