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

Systemtic Name: (E)-3-(3-bromanyl-4-phenylmethoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C26H20BrN3O2S MolecularWeight: 518.4249

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)Br)C#N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)Br)/C#N)C#N

InChI

InChI=1S/C26H20BrN3O2S/c27-22-13-18(10-11-23(22)32-16-17-6-2-1-3-7-17)12-19(14-28)25(31)30-26-21(15-29)20-8-4-5-9-24(20)33-26/h1-3,6-7,10-13H,4-5,8-9,16H2,(H,30,31)/b19-12+