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

Systemtic Name: ethyl 2-[5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: ethyl 2-[5-(p-tolylsulfonyl)tetrazol-1-yl]acetate CAS Name: 2-[5-(4-methylphenyl)sulfonyl-1-tetrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-methylphenyl)sulfonyltetrazol-1-yl]acetate Traditional Name: 2-(5-tosyltetrazol-1-yl)acetic acid ethyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NN=N1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CN1C(=NN=N1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

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