2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid 2-phthalimidoethyl ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16N2O4S/c25-20-16-9-4-5-10-17(16)21(26)24(20)13-14-28-22(27)18-11-6-12-23-19(18)29-15-7-2-1-3-8-15/h1-12H,13-14H2