3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-4-yl]propanoic acid

Systemtic Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-4-yl]propanoic acid Openeye Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylene]-3-oxo-benzothiophen-4-yl]propanoic acid CAS Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-4-yl]propanoic acid IUPAC Name: 3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-4-yl]propanoic acid Traditional Name: 3-[(2Z)-2-(4-hexoxybenzylidene)-3-keto-benzothiophen-4-yl]propionic acid Formula: C24H26O4S MolecularWeight: 410.52584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(C=CC=C3S2)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(C=CC=C3S2)CCC(=O)O

InChI

InChI=1S/C24H26O4S/c1-2-3-4-5-15-28-19-12-9-17(10-13-19)16-21-24(27)23-18(11-14-22(25)26)7-6-8-20(23)29-21/h6-10,12-13,16H,2-5,11,14-15H2,1H3,(H,25,26)/b21-16-