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

Systemtic Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(3-benzyloxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(3-benzoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O2S/c27-15-20(25(30)29-26-23(16-28)22-11-4-5-12-24(22)32-26)13-19-9-6-10-21(14-19)31-17-18-7-2-1-3-8-18/h1-3,6-10,13-14H,4-5,11-12,17H2,(H,29,30)/b20-13+