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

Systemtic Name: methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-chloranyl-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-4-chloro-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-chloro-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-chloro-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-chloro-4-(methylthio)-2-phthalimido-butyric acid methyl ester Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(SC)Cl)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](CC(SC)Cl)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H14ClNO4S/c1-20-14(19)10(7-11(15)21-2)16-12(17)8-5-3-4-6-9(8)13(16)18/h3-6,10-11H,7H2,1-2H3/t10-,11?/m0/s1