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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[[(1-ethyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[[(1-ethyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C18H19ClN4O5S2 MolecularWeight: 470.95026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

Isomeric SMILES

CCN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

InChI

InChI=1S/C18H19ClN4O5S2/c1-3-23-18(20-21-22-23)29-10-14-15(30(2,26)27)8-7-13(16(14)19)17(25)28-12-6-4-5-11(24)9-12/h7-9H,3-6,10H2,1-2H3