zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-phenylmethoxy-butanoate

Systemtic Name: zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-phenylmethoxy-butanoate Openeye Name: zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyloxy-4-oxo-butanoate CAS Name: zinc 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-phenylmethoxybutanoate IUPAC Name: zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-phenylmethoxybutanoate Traditional Name: zinc 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-benzoxy-4-keto-butyrate Formula: C19H16NO4S2Zn+ MolecularWeight: 451.87364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(=O)[O-])CSC2=NC3=CC=CC=C3S2.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC(=O)[O-])CSC2=NC3=CC=CC=C3S2.[Zn+2]

InChI

InChI=1S/C19H17NO4S2.Zn/c21-17(22)10-14(18(23)24-11-13-6-2-1-3-7-13)12-25-19-20-15-8-4-5-9-16(15)26-19;/h1-9,14H,10-12H2,(H,21,22);/q;+2/p-1