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

Systemtic Name: 2-fluoranylethyl 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1,3-benzoxazole-5-carboxylate Openeye Name: 2-fluoroethyl 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 2-fluoroethyl ester IUPAC Name: 2-fluoroethyl 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 2-fluoroethyl ester Formula: C14H12F3NO3S MolecularWeight: 331.31019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCCF)N=C(O2)SCCC=C(F)F

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCCF)N=C(O2)SCCC=C(F)F

InChI

InChI=1S/C14H12F3NO3S/c15-5-6-20-13(19)9-3-4-11-10(8-9)18-14(21-11)22-7-1-2-12(16)17/h2-4,8H,1,5-7H2