(3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-methylsulfonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-methylsulfonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 2-chloro-4-methylsulfonyl-3-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 2-chloro-4-mesyl-3-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C17H17ClN4O5S2 MolecularWeight: 456.92368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

InChI

InChI=1S/C17H17ClN4O5S2/c1-22-17(19-20-21-22)28-9-13-14(29(2,25)26)7-6-12(15(13)18)16(24)27-11-5-3-4-10(23)8-11/h6-8H,3-5,9H2,1-2H3