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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-3,5-dimethoxy-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-3,5-dimethoxybenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-3,5-dimethoxy-benzamide Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c1-13-18(11-24)23(25-22(26)15-8-16(27-2)10-17(9-15)28-3)31-21(13)7-14-4-5-19-20(6-14)30-12-29-19/h4-6,8-10H,7,12H2,1-3H3,(H,25,26)