[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid phthalimidomethyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H12N2O5S/c19-14(9-24-13-7-3-4-8-18(13)22)23-10-17-15(20)11-5-1-2-6-12(11)16(17)21/h1-8H,9-10H2