ethyl 2-[5-(4-methylsulfonylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-methylsulfonylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: ethyl 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-methylsulfonylphenyl)-2-tetrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(4-mesylphenyl)tetrazol-2-yl]acetic acid ethyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C12H14N4O4S/c1-3-20-11(17)8-16-14-12(13-15-16)9-4-6-10(7-5-9)21(2,18)19/h4-7H,3,8H2,1-2H3