bis(2-methylpropyl) 2-(1,3-benzothiazol-2-ylsulfanyl)propanedioate

Systemtic Name: bis(2-methylpropyl) 2-(1,3-benzothiazol-2-ylsulfanyl)propanedioate Openeye Name: diisobutyl 2-(1,3-benzothiazol-2-ylsulfanyl)propanedioate CAS Name: 2-(1,3-benzothiazol-2-ylthio)propanedioic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 2-(1,3-benzothiazol-2-ylsulfanyl)propanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)malonic acid diisobutyl ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C(=O)OCC(C)C)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)COC(=O)C(C(=O)OCC(C)C)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H23NO4S2/c1-11(2)9-22-16(20)15(17(21)23-10-12(3)4)25-18-19-13-7-5-6-8-14(13)24-18/h5-8,11-12,15H,9-10H2,1-4H3