(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-thiazol-2-yl-acrylamide Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=NC=CS2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=NC=CS2)Br)OC

InChI

InChI=1S/C15H12BrN3O3S/c1-21-12-6-9(11(16)7-13(12)22-2)5-10(8-17)14(20)19-15-18-3-4-23-15/h3-7H,1-2H3,(H,18,19,20)/b10-5+