3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxidanylidene-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(methylcarbamoyloxy)-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(methylcarbamoyloxy)-4-oxobutanoic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-4-(methylcarbamoyloxy)butyric acid Formula: C14H14N2O5S2 MolecularWeight: 354.40136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=O)OC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H14N2O5S2/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)