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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid phthalimidomethyl ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H14N2O4S/c24-19-15-9-4-5-10-16(15)20(25)23(19)13-27-21(26)17-11-6-12-22-18(17)28-14-7-2-1-3-8-14/h1-12H,13H2