3-(1,3-benzothiazol-2-ylsulfanyl)-2,2-di(propan-2-yl)pentanedioate

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2,2-di(propan-2-yl)pentanedioate Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2,2-diisopropyl-pentanedioate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2,2-di(propan-2-yl)pentanedioate IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2,2-di(propan-2-yl)pentanedioate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2,2-diisopropyl-glutarate Formula: C18H21NO4S2-2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(C(CC(=O)[O-])SC1=NC2=CC=CC=C2S1)C(=O)[O-]

Isomeric SMILES

CC(C)C(C(C)C)(C(CC(=O)[O-])SC1=NC2=CC=CC=C2S1)C(=O)[O-]

InChI

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