1,3-benzothiazol-2-ylmethyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-phthalimido-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CC[C@H](C(=O)OCC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O6S2/c1-31(27,28)11-10-16(23-19(24)13-6-2-3-7-14(13)20(23)25)21(26)29-12-18-22-15-8-4-5-9-17(15)30-18/h2-9,16H,10-12H2,1H3/t16-/m1/s1