methyl 2-[(3-ethyl-1,2-oxazol-5-yl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(3-ethyl-1,2-oxazol-5-yl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(3-ethylisoxazol-5-yl)methylsulfanyl]acetate CAS Name: 2-[(3-ethyl-5-isoxazolyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-ethyl-1,2-oxazol-5-yl)methylsulfanyl]acetate Traditional Name: 2-[(3-ethylisoxazol-5-yl)methylthio]acetic acid methyl ester Formula: C9H13NO3S MolecularWeight: 215.26942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CSCC(=O)OC

Isomeric SMILES

CCC1=NOC(=C1)CSCC(=O)OC

InChI

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