(E)-3-(5-bromanyl-2-methoxy-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-methoxy-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-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-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-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C20H16BrN3O2S MolecularWeight: 442.32894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O2S/c1-26-17-7-6-14(21)9-12(17)8-13(10-22)19(25)24-20-16(11-23)15-4-2-3-5-18(15)27-20/h6-9H,2-5H2,1H3,(H,24,25)/b13-8+