tert-butyl 3-[4,5-bis(fluoranyl)-2-(methylsulfanylcarbothioylamino)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-[4,5-bis(fluoranyl)-2-(methylsulfanylcarbothioylamino)phenyl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[4,5-difluoro-2-(methylsulfanylcarbothioylamino)phenyl]-3-oxo-propanoate CAS Name: 3-[4,5-difluoro-2-[[(methylthio)-sulfanylidenemethyl]amino]phenyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4,5-difluoro-2-(methylsulfanylcarbothioylamino)phenyl]-3-oxopropanoate Traditional Name: 3-[4,5-difluoro-2-[(methylthio)carbothioylamino]phenyl]-3-keto-propionic acid tert-butyl ester Formula: C15H17F2NO3S2 MolecularWeight: 361.427186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)C1=CC(=C(C=C1NC(=S)SC)F)F

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)C1=CC(=C(C=C1NC(=S)SC)F)F

InChI

InChI=1S/C15H17F2NO3S2/c1-15(2,3)21-13(20)7-12(19)8-5-9(16)10(17)6-11(8)18-14(22)23-4/h5-6H,7H2,1-4H3,(H,18,22)