2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzoxazole-6-carboxylate

Systemtic Name: 2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzoxazole-6-carboxylate Openeye Name: 2-(2-oxido-2-oxo-ethyl)sulfanyl-1,3-benzoxazole-6-carboxylate CAS Name: 2-[(2-oxido-2-oxoethyl)thio]-1,3-benzoxazole-6-carboxylate IUPAC Name: 2-(2-oxido-2-oxoethyl)sulfanyl-1,3-benzoxazole-6-carboxylate Traditional Name: 2-[(2-keto-2-oxido-ethyl)thio]-1,3-benzoxazole-6-carboxylate Formula: C10H5NO5S-2 MolecularWeight: 251.2154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])OC(=N2)SCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])OC(=N2)SCC(=O)[O-]

InChI

InChI=1S/C10H7NO5S/c12-8(13)4-17-10-11-6-2-1-5(9(14)15)3-7(6)16-10/h1-3H,4H2,(H,12,13)(H,14,15)/p-2