ethyl 1-[bis(fluoranyl)-phenylsulfanyl-methyl]-1-oxidanyl-3-oxidanylidene-isoindole-2-carboxylate

Systemtic Name: ethyl 1-[bis(fluoranyl)-phenylsulfanyl-methyl]-1-oxidanyl-3-oxidanylidene-isoindole-2-carboxylate Openeye Name: ethyl 1-[difluoro(phenylsulfanyl)methyl]-1-hydroxy-3-oxo-isoindoline-2-carboxylate CAS Name: 1-[difluoro-(phenylthio)methyl]-1-hydroxy-3-oxo-2-isoindolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[difluoro(phenylsulfanyl)methyl]-1-hydroxy-3-oxoisoindole-2-carboxylate Traditional Name: 1-[difluoro-(phenylthio)methyl]-1-hydroxy-3-keto-isoindoline-2-carboxylic acid ethyl ester Formula: C18H15F2NO4S MolecularWeight: 379.377806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=O)C2=CC=CC=C2C1(C(F)(F)SC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)N1C(=O)C2=CC=CC=C2C1(C(F)(F)SC3=CC=CC=C3)O

InChI

InChI=1S/C18H15F2NO4S/c1-2-25-16(23)21-15(22)13-10-6-7-11-14(13)17(21,24)18(19,20)26-12-8-4-3-5-9-12/h3-11,24H,2H2,1H3