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

Systemtic Name: 2-[(3-propyl-1,2-oxazol-5-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-propylisoxazol-5-yl)methylsulfanyl]acetic acid CAS Name: 2-[(3-propyl-5-isoxazolyl)methylthio]acetic acid IUPAC Name: 2-[(3-propyl-1,2-oxazol-5-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-propylisoxazol-5-yl)methylthio]acetic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CSCC(=O)O

Isomeric SMILES

CCCC1=NOC(=C1)CSCC(=O)O

InChI

InChI=1S/C9H13NO3S/c1-2-3-7-4-8(13-10-7)5-14-6-9(11)12/h4H,2-3,5-6H2,1H3,(H,11,12)