[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C16H9F2NO3S MolecularWeight: 333.309366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)C3=CC(=C(C=C3)F)F)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)C3=CC(=C(C=C3)F)F)SC=N2

InChI

InChI=1S/C16H9F2NO3S/c17-11-3-1-9(5-12(11)18)14(20)7-22-16(21)10-2-4-13-15(6-10)23-8-19-13/h1-6,8H,7H2