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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-bromo-2-thienyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-bromo-2-thiophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(5-bromo-2-thienyl)-2-cyano-N-piperonyl-acrylamide Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CC=C(S3)Br)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C(=C/C3=CC=C(S3)Br)/C#N

InChI

InChI=1S/C16H11BrN2O3S/c17-15-4-2-12(23-15)6-11(7-18)16(20)19-8-10-1-3-13-14(5-10)22-9-21-13/h1-6H,8-9H2,(H,19,20)/b11-6+