3-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-[(5-methylisoxazol-3-yl)methylsulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(5-methyl-3-isoxazolyl)methylsulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-[(5-methylisoxazol-3-yl)methylsulfonyl]phenyl]propionic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=CC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H15NO5S/c1-10-8-12(15-20-10)9-21(18,19)13-5-2-11(3-6-13)4-7-14(16)17/h2-3,5-6,8H,4,7,9H2,1H3,(H,16,17)