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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C19H19ClN4O5S2 MolecularWeight: 482.96096

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)CSC3=NN=NN3C4CC4

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C19H19ClN4O5S2/c1-31(27,28)16-8-7-14(18(26)29-13-4-2-3-12(25)9-13)17(20)15(16)10-30-19-21-22-23-24(19)11-5-6-11/h7-9,11H,2-6,10H2,1H3