4-[5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzoic acid CAS Name: 4-[5-[(2-methoxy-2-oxoethyl)thio]-1,3,4-oxadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(2-methoxy-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[(2-keto-2-methoxy-ethyl)thio]-1,3,4-oxadiazol-2-yl]benzoic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H10N2O5S/c1-18-9(15)6-20-12-14-13-10(19-12)7-2-4-8(5-3-7)11(16)17/h2-5H,6H2,1H3,(H,16,17)