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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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