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

Systemtic Name: 3-(acetamidomethylsulfanyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(acetamidomethylsulfanyl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 3-(acetamidomethylthio)-2-(1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(acetamidomethylsulfanyl)-2-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(acetamidomethylthio)-2-phthalimido-propionic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5S/c1-8(17)15-7-22-6-11(14(20)21)16-12(18)9-4-2-3-5-10(9)13(16)19/h2-5,11H,6-7H2,1H3,(H,15,17)(H,20,21)