3-[(3-ethyl-1,2-oxazol-5-yl)methylsulfonyl]propanoate

Systemtic Name: 3-[(3-ethyl-1,2-oxazol-5-yl)methylsulfonyl]propanoate Openeye Name: 3-[(3-ethylisoxazol-5-yl)methylsulfonyl]propanoate CAS Name: 3-[(3-ethyl-5-isoxazolyl)methylsulfonyl]propanoate IUPAC Name: 3-[(3-ethyl-1,2-oxazol-5-yl)methylsulfonyl]propanoate Traditional Name: 3-[(3-ethylisoxazol-5-yl)methylsulfonyl]propionate Formula: C9H12NO5S- MolecularWeight: 246.26028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=NOC(=C1)CS(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C9H13NO5S/c1-2-7-5-8(15-10-7)6-16(13,14)4-3-9(11)12/h5H,2-4,6H2,1H3,(H,11,12)/p-1