2-[(3-propyl-1,2-oxazol-5-yl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(3-propyl-1,2-oxazol-5-yl)methylsulfonyl]ethanoate Openeye Name: 2-[(3-propylisoxazol-5-yl)methylsulfonyl]acetate CAS Name: 2-[(3-propyl-5-isoxazolyl)methylsulfonyl]acetate IUPAC Name: 2-[(3-propyl-1,2-oxazol-5-yl)methylsulfonyl]acetate Traditional Name: 2-[(3-propylisoxazol-5-yl)methylsulfonyl]acetate Formula: C9H12NO5S- MolecularWeight: 246.26028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CS(=O)(=O)CC(=O)[O-]

Isomeric SMILES

CCCC1=NOC(=C1)CS(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C9H13NO5S/c1-2-3-7-4-8(15-10-7)5-16(13,14)6-9(11)12/h4H,2-3,5-6H2,1H3,(H,11,12)/p-1