(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoate

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoate Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-methylsulfanyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-(methylthio)propanoate IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoate Traditional Name: (2S)-3-(methylthio)-2-phthalimido-propionate Formula: C12H10NO4S- MolecularWeight: 264.2771

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)[O-])N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSC[C@H](C(=O)[O-])N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H11NO4S/c1-18-6-9(12(16)17)13-10(14)7-4-2-3-5-8(7)11(13)15/h2-5,9H,6H2,1H3,(H,16,17)/p-1/t9-/m1/s1