ethyl (E)-3-methyl-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]hex-2-enoate

Systemtic Name: ethyl (E)-3-methyl-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]hex-2-enoate Openeye Name: ethyl (E)-3-methyl-6-(1-phenyltetrazol-5-yl)sulfonyl-hex-2-enoate CAS Name: (E)-3-methyl-6-[(1-phenyl-5-tetrazolyl)sulfonyl]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-3-methyl-6-(1-phenyltetrazol-5-yl)sulfonylhex-2-enoate Traditional Name: (E)-3-methyl-6-(1-phenyltetrazol-5-yl)sulfonyl-hex-2-enoic acid ethyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)CCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C(\C)/CCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O4S/c1-3-24-15(21)12-13(2)8-7-11-25(22,23)16-17-18-19-20(16)14-9-5-4-6-10-14/h4-6,9-10,12H,3,7-8,11H2,1-2H3/b13-12+