(E)-3-[5-bromanyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[5-bromanyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-[5-bromo-2-[(E)-cinnamyl]oxy-phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)prop-2-enamide CAS Name: (E)-3-[5-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-[5-bromo-2-[(E)-cinnamyl]oxy-phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acrylamide Formula: C27H22BrN3O2S MolecularWeight: 532.45148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC=CC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OC/C=C/C3=CC=CC=C3)/C#N)C

InChI

InChI=1S/C27H22BrN3O2S/c1-3-23-18(2)34-27(24(23)17-30)31-26(32)21(16-29)14-20-15-22(28)11-12-25(20)33-13-7-10-19-8-5-4-6-9-19/h4-12,14-15H,3,13H2,1-2H3,(H,31,32)/b10-7+,21-14+