ethyl (E,4R,5S)-4,5-bis(oxidanyl)-6-(3-oxidanylidene-1-phenylsulfanyl-1H-isoindol-2-yl)hex-2-enoate

Systemtic Name: ethyl (E,4R,5S)-4,5-bis(oxidanyl)-6-(3-oxidanylidene-1-phenylsulfanyl-1H-isoindol-2-yl)hex-2-enoate Openeye Name: ethyl (E,4R,5S)-4,5-dihydroxy-6-(1-oxo-3-phenylsulfanyl-isoindolin-2-yl)hex-2-enoate CAS Name: (E,4R,5S)-4,5-dihydroxy-6-[3-oxo-1-(phenylthio)-1H-isoindol-2-yl]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4R,5S)-4,5-dihydroxy-6-(3-oxo-1-phenylsulfanyl-1H-isoindol-2-yl)hex-2-enoate Traditional Name: (E,4R,5S)-4,5-dihydroxy-6-[1-keto-3-(phenylthio)isoindolin-2-yl]hex-2-enoic acid ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(CN1C(C2=CC=CC=C2C1=O)SC3=CC=CC=C3)O)O

Isomeric SMILES

CCOC(=O)/C=C/[C@H]([C@H](CN1C(C2=CC=CC=C2C1=O)SC3=CC=CC=C3)O)O

InChI

InChI=1S/C22H23NO5S/c1-2-28-20(26)13-12-18(24)19(25)14-23-21(27)16-10-6-7-11-17(16)22(23)29-15-8-4-3-5-9-15/h3-13,18-19,22,24-25H,2,14H2,1H3/b13-12+/t18-,19+,22?/m1/s1