2-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: 2-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 2-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxido-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 2-[5-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-oxido-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 2-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxido-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-keto-3-oxido-prop-1-enyl]-2-furyl]benzoate Formula: C21H11NO6S-2 MolecularWeight: 405.38014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C(=O)[O-])SC3=NC4=CC=CC=C4O3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C(=O)[O-])/SC3=NC4=CC=CC=C4O3)C(=O)[O-]

InChI

InChI=1S/C21H13NO6S/c23-19(24)14-6-2-1-5-13(14)16-10-9-12(27-16)11-18(20(25)26)29-21-22-15-7-3-4-8-17(15)28-21/h1-11H,(H,23,24)(H,25,26)/p-2/b18-11+