zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-[(phenylmethyl)carbamoyloxy]butanoate

Systemtic Name: zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-[(phenylmethyl)carbamoyloxy]butanoate Openeye Name: zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(benzylcarbamoyloxy)-4-oxo-butanoate CAS Name: zinc 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-[oxo-[(phenylmethyl)amino]methoxy]butanoate IUPAC Name: zinc 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(benzylcarbamoyloxy)-4-oxobutanoate Traditional Name: zinc 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(benzylcarbamoyloxy)-4-keto-butyrate Formula: C20H17N2O5S2Zn+ MolecularWeight: 494.89838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S2.Zn/c23-17(24)10-14(12-28-20-22-15-8-4-5-9-16(15)29-20)18(25)27-19(26)21-11-13-6-2-1-3-7-13;/h1-9,14H,10-12H2,(H,21,26)(H,23,24);/q;+2/p-1