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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C22H21N3O2S/c1-14(2)27-17-9-7-15(8-10-17)11-16(12-23)21(26)25-22-19(13-24)18-5-3-4-6-20(18)28-22/h7-11,14H,3-6H2,1-2H3,(H,25,26)/b16-11+