methyl 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzoxazole-5-carboxylate CAS Name: 2-(4,4-difluorobut-3-enylthio)-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzoxazole-5-carboxylate Traditional Name: 2-(4,4-difluorobut-3-enylthio)-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C13H11F2NO3S MolecularWeight: 299.293146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=N2)SCCC=C(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=N2)SCCC=C(F)F

InChI

InChI=1S/C13H11F2NO3S/c1-18-12(17)8-4-5-10-9(7-8)16-13(19-10)20-6-2-3-11(14)15/h3-5,7H,2,6H2,1H3