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

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C22H16BrN3O2S/c1-2-9-28-19-8-7-16(23)11-14(19)10-15(12-24)21(27)26-22-18(13-25)17-5-3-4-6-20(17)29-22/h1,7-8,10-11H,3-6,9H2,(H,26,27)/b15-10+