(2Z)-5-bromanyl-2-[(4-hexoxyphenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-5-bromanyl-2-[(4-hexoxyphenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-5-bromo-2-[(4-hexoxyphenyl)methylene]benzothiophen-3-one CAS Name: (2Z)-5-bromo-2-[(4-hexoxyphenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-5-bromo-2-[(4-hexoxyphenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-5-bromo-2-(4-hexoxybenzylidene)benzothiophen-3-one Formula: C21H21BrO2S MolecularWeight: 417.35924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(S2)C=CC(=C3)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(S2)C=CC(=C3)Br

InChI

InChI=1S/C21H21BrO2S/c1-2-3-4-5-12-24-17-9-6-15(7-10-17)13-20-21(23)18-14-16(22)8-11-19(18)25-20/h6-11,13-14H,2-5,12H2,1H3/b20-13-