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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid 2-phthalimidoethyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c20-15(11-25-14-7-3-4-8-19(14)23)24-10-9-18-16(21)12-5-1-2-6-13(12)17(18)22/h1-8H,9-11H2