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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)OC(=N2)SCCC=C(F)F

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)OC(=N2)SCCC=C(F)F

InChI

InChI=1S/C13H11F2NO3S/c1-18-12(17)8-4-2-5-9-11(8)16-13(19-9)20-7-3-6-10(14)15/h2,4-6H,3,7H2,1H3