[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(phenylmethylsulfanyl)ethanoate Openeye Name: [5-(p-tolyl)isoxazol-3-yl]methyl 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid [5-(4-methylphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid [5-(p-tolyl)isoxazol-3-yl]methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO3S/c1-15-7-9-17(10-8-15)19-11-18(21-24-19)12-23-20(22)14-25-13-16-5-3-2-4-6-16/h2-11H,12-14H2,1H3