1,3-benzothiazol-2-ylmethyl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S,3S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phthalimido-valeric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-3-13(2)19(24-20(25)14-8-4-5-9-15(14)21(24)26)22(27)28-12-18-23-16-10-6-7-11-17(16)29-18/h4-11,13,19H,3,12H2,1-2H3/t13-,19-/m0/s1