(3E)-3-[3-(4-chloranylphenoxy)-5-oxidanyl-6-oxidanylidene-1-benzothiophen-2-ylidene]-2-(1H-pyridin-4-ylidene)propanoate

Systemtic Name: (3E)-3-[3-(4-chloranylphenoxy)-5-oxidanyl-6-oxidanylidene-1-benzothiophen-2-ylidene]-2-(1H-pyridin-4-ylidene)propanoate Openeye Name: (3E)-3-[3-(4-chlorophenoxy)-5-hydroxy-6-oxo-benzothiophen-2-ylidene]-2-(1H-pyridin-4-ylidene)propanoate CAS Name: (3E)-3-[3-(4-chlorophenoxy)-5-hydroxy-6-oxo-1-benzothiophen-2-ylidene]-2-(1H-pyridin-4-ylidene)propanoate IUPAC Name: (3E)-3-[3-(4-chlorophenoxy)-5-hydroxy-6-oxo-1-benzothiophen-2-ylidene]-2-(1H-pyridin-4-ylidene)propanoate Traditional Name: (3E)-3-[3-(4-chlorophenoxy)-5-hydroxy-6-keto-benzothiophen-2-ylidene]-2-(1H-pyridin-4-ylidene)propionate Formula: C22H13ClNO5S- MolecularWeight: 438.86032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C3C=C(C(=O)C=C3SC2=CC(=C4C=CNC=C4)C(=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1OC\2=C3C=C(C(=O)C=C3S/C2=C/C(=C4C=CNC=C4)C(=O)[O-])O)Cl

InChI

InChI=1S/C22H14ClNO5S/c23-13-1-3-14(4-2-13)29-21-16-9-17(25)18(26)11-19(16)30-20(21)10-15(22(27)28)12-5-7-24-8-6-12/h1-11,24-25H,(H,27,28)/p-1/b20-10+