2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-2-oxidanylidene-4-sulfanyl-azetidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-2-oxidanylidene-4-sulfanyl-azetidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)-1-methyl-2-oxo-4-sulfanyl-azetidin-1-ium-1-yl]acetic acid CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-2-mercapto-1-methyl-4-oxo-1-azetidin-1-iumyl]acetic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)-1-methyl-2-oxo-4-sulfanylazetidin-1-ium-1-yl]acetic acid Traditional Name: 2-(2-keto-4-mercapto-1-methyl-3-phthalimido-azetidin-1-ium-1-yl)acetic acid Formula: C14H13N2O5S+ MolecularWeight: 321.32842

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S)CC(=O)O

Isomeric SMILES

C[N+]1(C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S)CC(=O)O

InChI

InChI=1S/C14H12N2O5S/c1-16(6-9(17)18)13(21)10(14(16)22)15-11(19)7-4-2-3-5-8(7)12(15)20/h2-5,10,14H,6H2,1H3,(H-,17,18,22)/p+1