2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-3-phenyl-1,3-thiazinan-3-ium-3-yl]ethanoic acid

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-3-phenyl-1,3-thiazinan-3-ium-3-yl]ethanoic acid Openeye Name: 2-[5-(1,3-dioxoisoindolin-2-yl)-4-oxo-3-phenyl-1,3-thiazinan-3-ium-3-yl]acetic acid CAS Name: 2-[5-(1,3-dioxo-2-isoindolyl)-4-oxo-3-phenyl-1,3-thiazinan-3-ium-3-yl]acetic acid IUPAC Name: 2-[5-(1,3-dioxoisoindol-2-yl)-4-oxo-3-phenyl-1,3-thiazinan-3-ium-3-yl]acetic acid Traditional Name: 2-(4-keto-3-phenyl-5-phthalimido-1,3-thiazinan-3-ium-3-yl)acetic acid Formula: C20H17N2O5S+ MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)[N+](CS1)(CC(=O)O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(C(=O)[N+](CS1)(CC(=O)O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H16N2O5S/c23-17(24)10-22(13-6-2-1-3-7-13)12-28-11-16(20(22)27)21-18(25)14-8-4-5-9-15(14)19(21)26/h1-9,16H,10-12H2/p+1