3-[(2Z)-2-[(3-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanoic acid

Systemtic Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanoic acid Openeye Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylene]-3-oxo-benzothiophen-5-yl]propanoic acid CAS Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanoic acid IUPAC Name: 3-[(2Z)-2-[(3-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanoic acid Traditional Name: 3-[(2Z)-2-(3-hexoxybenzylidene)-3-keto-benzothiophen-5-yl]propionic acid Formula: C24H26O4S MolecularWeight: 410.52584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O4S/c1-2-3-4-5-13-28-19-8-6-7-18(14-19)16-22-24(27)20-15-17(10-12-23(25)26)9-11-21(20)29-22/h6-9,11,14-16H,2-5,10,12-13H2,1H3,(H,25,26)/b22-16-