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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(4-phenylthiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-phenyl-2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(4-phenylthiazol-2-yl)acrylamide Formula: C20H14BrN3O3S MolecularWeight: 456.31246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=NC(=CS2)C3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC(=CS2)C3=CC=CC=C3)Br)O

InChI

InChI=1S/C20H14BrN3O3S/c1-27-17-9-12(8-15(21)18(17)25)7-14(10-22)19(26)24-20-23-16(11-28-20)13-5-3-2-4-6-13/h2-9,11,25H,1H3,(H,23,24,26)/b14-7+