3-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-hydroxy-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-hydroxy-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C21H13NO6S MolecularWeight: 407.39602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)S/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=O)O

InChI

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