ethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyric acid ethyl ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)[C@H](CCSC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C15H17NO4S/c1-3-20-15(19)12(8-9-21-2)16-13(17)10-6-4-5-7-11(10)14(16)18/h4-7,12H,3,8-9H2,1-2H3/t12-/m0/s1