2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methylsulfanyl-propanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(methylthio)propanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoic acid Traditional Name: 3-(methylthio)-2-phthalimido-propionic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCC(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)