(E)-3-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-hydroxy-3-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-hydroxy-3-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N)O

InChI

InChI=1S/C20H16BrN3O3S/c1-27-16-8-13(21)7-11(18(16)25)6-12(9-22)19(26)24-20-15(10-23)14-4-2-3-5-17(14)28-20/h6-8,25H,2-5H2,1H3,(H,24,26)/b12-6+