methyl 3-(ethylsulfanylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(ethylsulfanylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(ethylsulfanylmethyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-[(ethylthio)methyl]-4,5-dihydroisoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(ethylsulfanylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-[(ethylthio)methyl]-2-isoxazoline-5-carboxylic acid methyl ester Formula: C8H13NO3S MolecularWeight: 203.25872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NOC(C1)C(=O)OC

Isomeric SMILES

CCSCC1=NOC(C1)C(=O)OC

InChI

InChI=1S/C8H13NO3S/c1-3-13-5-6-4-7(12-9-6)8(10)11-2/h7H,3-5H2,1-2H3