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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-phthalimido-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c1-28-11-10-16(23-19(24)13-6-2-3-7-14(13)20(23)25)21(26)27-12-18-22-15-8-4-5-9-17(15)29-18/h2-9,16H,10-12H2,1H3/t16-/m1/s1