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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-methyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2-methyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2-methylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-methylpropanamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-2-methyl-propionamide Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(C)C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C(C)C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O3S/c1-10(2)17(21)20-18-13(8-19)11(3)16(24-18)7-12-4-5-14-15(6-12)23-9-22-14/h4-6,10H,7,9H2,1-3H3,(H,20,21)