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

Systemtic Name: (E)-3-[5-bromanyl-2-[(3-methylphenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-[5-bromo-2-(m-tolylmethoxy)phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)prop-2-enamide CAS Name: (E)-3-[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-[5-bromo-2-(3-methylbenzyl)oxy-phenyl]-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acrylamide Formula: C26H22BrN3O2S MolecularWeight: 520.44078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC(=C3)C)C#N)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC(=C3)C)/C#N)C

InChI

InChI=1S/C26H22BrN3O2S/c1-4-22-17(3)33-26(23(22)14-29)30-25(31)20(13-28)11-19-12-21(27)8-9-24(19)32-15-18-7-5-6-16(2)10-18/h5-12H,4,15H2,1-3H3,(H,30,31)/b20-11+