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

Systemtic Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-propoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-propoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-propoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-propoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-propoxyphenyl)acrylamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C22H21N3O2S/c1-2-11-27-19-9-5-3-7-15(19)12-16(13-23)21(26)25-22-18(14-24)17-8-4-6-10-20(17)28-22/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,25,26)/b16-12+