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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-(phenylmethylsulfanyl)ethanoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C20H17NO5S/c22-20(12-27-11-14-4-2-1-3-5-14)23-10-16-9-18(26-21-16)15-6-7-17-19(8-15)25-13-24-17/h1-9H,10-13H2