methyl (E)-4-[1-[bis(fluoranyl)-phenylsulfanyl-methyl]-1-oxidanyl-3-oxidanylidene-isoindol-2-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[1-[bis(fluoranyl)-phenylsulfanyl-methyl]-1-oxidanyl-3-oxidanylidene-isoindol-2-yl]but-2-enoate Openeye Name: methyl (E)-4-[1-[difluoro(phenylsulfanyl)methyl]-1-hydroxy-3-oxo-isoindolin-2-yl]but-2-enoate CAS Name: (E)-4-[1-[difluoro-(phenylthio)methyl]-1-hydroxy-3-oxo-2-isoindolyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[1-[difluoro(phenylsulfanyl)methyl]-1-hydroxy-3-oxoisoindol-2-yl]but-2-enoate Traditional Name: (E)-4-[1-[difluoro-(phenylthio)methyl]-1-hydroxy-3-keto-isoindolin-2-yl]but-2-enoic acid methyl ester Formula: C20H17F2NO4S MolecularWeight: 405.415086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C(=O)C2=CC=CC=C2C1(C(F)(F)SC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)/C=C/CN1C(=O)C2=CC=CC=C2C1(C(F)(F)SC3=CC=CC=C3)O

InChI

InChI=1S/C20H17F2NO4S/c1-27-17(24)12-7-13-23-18(25)15-10-5-6-11-16(15)19(23,26)20(21,22)28-14-8-3-2-4-9-14/h2-12,26H,13H2,1H3/b12-7+