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

Systemtic Name: 3-(3-bromanyl-4-propan-2-yloxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: 3-(3-bromo-4-isopropoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: 3-(3-bromo-4-propan-2-yloxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: 3-(3-bromo-4-propan-2-yloxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: 3-(3-bromo-4-isopropoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O2S/c1-13(2)28-19-8-7-14(10-18(19)23)9-15(11-24)21(27)26-22-17(12-25)16-5-3-4-6-20(16)29-22/h7-10,13H,3-6H2,1-2H3,(H,26,27)