[7-(3-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-fluoranylbenzoate

Systemtic Name: [7-(3-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-fluoranylbenzoate Openeye Name: [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-keto-7-(3-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C21H13FO5S MolecularWeight: 396.388323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H13FO5S/c1-25-13-6-4-5-12(9-13)16-10-14(11-18-19(16)27-21(24)28-18)26-20(23)15-7-2-3-8-17(15)22/h2-11H,1H3