(E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(3-methyl-2-thienyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(3-methyl-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-methyl-2-thienyl)-N-piperonyl-acrylamide Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(SC=C1)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14N2O3S/c1-11-4-5-23-16(11)7-13(8-18)17(20)19-9-12-2-3-14-15(6-12)22-10-21-14/h2-7H,9-10H2,1H3,(H,19,20)/b13-7+