N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[2-(methylthio)phenoxy]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5S/c1-28-19-5-3-2-4-17(19)24-11-14-9-15(22-27-14)20(23)21-10-13-6-7-16-18(8-13)26-12-25-16/h2-9H,10-12H2,1H3,(H,21,23)