N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2-phenoxy-acetamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2-phenoxyacetamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-phenoxyacetamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-2-phenoxy-acetamide Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O4S/c1-14-17(11-23)22(24-21(25)12-26-16-5-3-2-4-6-16)29-20(14)10-15-7-8-18-19(9-15)28-13-27-18/h2-9H,10,12-13H2,1H3,(H,24,25)