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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid phthalimidomethyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12N2O4S/c1-23-13-12(7-4-8-17-13)16(21)22-9-18-14(19)10-5-2-3-6-11(10)15(18)20/h2-8H,9H2,1H3