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

Systemtic Name: (E)-3-(5-bromanyl-2-ethoxy-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-ethoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-ethoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H18BrN3O2S/c1-2-27-18-8-7-15(22)10-13(18)9-14(11-23)20(26)25-21-17(12-24)16-5-3-4-6-19(16)28-21/h7-10H,2-6H2,1H3,(H,25,26)/b14-9+