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

Systemtic Name: 2-[(3-propan-2-yl-1,2-oxazol-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-isopropylisoxazol-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(3-propan-2-yl-4-isoxazolyl)methylthio]acetic acid IUPAC Name: 2-[(3-propan-2-yl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-isopropylisoxazol-4-yl)methylthio]acetic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC=C1CSCC(=O)O

Isomeric SMILES

CC(C)C1=NOC=C1CSCC(=O)O

InChI

InChI=1S/C9H13NO3S/c1-6(2)9-7(3-13-10-9)4-14-5-8(11)12/h3,6H,4-5H2,1-2H3,(H,11,12)