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

Systemtic Name: 3-[5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-[5-(2-methoxy-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoic acid CAS Name: 3-[5-[(2-methoxy-2-oxoethyl)thio]-1-tetrazolyl]benzoic acid IUPAC Name: 3-[5-(2-methoxy-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid Traditional Name: 3-[5-[(2-keto-2-methoxy-ethyl)thio]tetrazol-1-yl]benzoic acid Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=NN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC(=O)CSC1=NN=NN1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C11H10N4O4S/c1-19-9(16)6-20-11-12-13-14-15(11)8-4-2-3-7(5-8)10(17)18/h2-5H,6H2,1H3,(H,17,18)