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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-thienyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-thiophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-thienyl)-2-cyano-acrylamide Formula: C15H9BrN2O3S MolecularWeight: 377.21256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrN2O3S/c16-14-4-2-11(22-14)5-9(7-17)15(19)18-10-1-3-12-13(6-10)21-8-20-12/h1-6H,8H2,(H,18,19)/b9-5+