(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: [2-(2-pyridyl)thiazol-4-yl]methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid [2-(2-pyridinyl)-4-thiazolyl]methyl ester IUPAC Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid [2-(2-pyridyl)thiazol-4-yl]methyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC1=CSC(=N1)C2=CC=CC=N2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)OCC1=CSC(=N1)C2=CC=CC=N2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O6S2/c1-33(29,30)11-9-18(25-20(26)15-6-2-3-7-16(15)21(25)27)22(28)31-12-14-13-32-19(24-14)17-8-4-5-10-23-17/h2-8,10,13,18H,9,11-12H2,1H3