calcium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxidanylidene-butanoate

Systemtic Name: calcium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxidanylidene-butanoate Openeye Name: calcium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxo-butanoate CAS Name: calcium 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(methylcarbamoyloxy)-4-oxobutanoate IUPAC Name: calcium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxobutanoate Traditional Name: calcium 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-4-(methylcarbamoyloxy)butyrate Formula: C14H13CaN2O5S2+ MolecularWeight: 393.47142

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2S1.[Ca+2]

Isomeric SMILES

CNC(=O)OC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2S1.[Ca+2]

InChI

InChI=1S/C14H14N2O5S2.Ca/c1-15-13(20)21-12(19)8(6-11(17)18)7-22-14-16-9-4-2-3-5-10(9)23-14;/h2-5,8H,6-7H2,1H3,(H,15,20)(H,17,18);/q;+2/p-1