5-methyl-3-(octylsulfanylmethyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole

Systemtic Name: 5-methyl-3-(octylsulfanylmethyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole Openeye Name: 5-(benzyloxymethyl)-5-methyl-3-(octylsulfanylmethyl)-4H-isoxazole CAS Name: 5-methyl-3-[(octylthio)methyl]-5-(phenylmethoxymethyl)-4H-isoxazole IUPAC Name: 5-methyl-3-(octylsulfanylmethyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole Traditional Name: 5-(benzoxymethyl)-5-methyl-3-[(octylthio)methyl]-2-isoxazoline Formula: C21H33NO2S MolecularWeight: 363.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=NOC(C1)(C)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCSCC1=NOC(C1)(C)COCC2=CC=CC=C2

InChI

InChI=1S/C21H33NO2S/c1-3-4-5-6-7-11-14-25-17-20-15-21(2,24-22-20)18-23-16-19-12-9-8-10-13-19/h8-10,12-13H,3-7,11,14-18H2,1-2H3