zinc 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-butanoate

Systemtic Name: zinc 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-butanoate Openeye Name: zinc 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-butanoate CAS Name: zinc 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-methylbutanoate IUPAC Name: zinc 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methylbutanoate Traditional Name: zinc 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-methyl-butyrate Formula: C13H14NO2S2Zn+ MolecularWeight: 345.79476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].[Zn+2]

Isomeric SMILES

CC(C)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].[Zn+2]

InChI

InChI=1S/C13H15NO2S2.Zn/c1-8(2)9(12(15)16)7-17-13-14-10-5-3-4-6-11(10)18-13;/h3-6,8-9H,7H2,1-2H3,(H,15,16);/q;+2/p-1