(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-thiazol-2-yl-acrylamide Formula: C14H8BrN3O3S MolecularWeight: 378.20062

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C(C#N)C(=O)NC3=NC=CS3)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C(=O)NC3=NC=CS3)Br

InChI

InChI=1S/C14H8BrN3O3S/c15-10-4-8(5-11-12(10)21-7-20-11)3-9(6-16)13(19)18-14-17-1-2-22-14/h1-5H,7H2,(H,17,18,19)/b9-3+