(3-oxidanylidenecyclohexen-1-yl) 2-ethyl-6,9-dimethyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-ethyl-6,9-dimethyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate Openeye Name: (3-oxocyclohexen-1-yl) 2-ethyl-6,9-dimethyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate CAS Name: 2-ethyl-6,9-dimethyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-ethyl-6,9-dimethyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate Traditional Name: 2-ethyl-5,5-diketo-6,9-dimethyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid (3-ketocyclohexen-1-yl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2CS(=O)(=O)C3=C(C=C(C(=C3C2=N1)C)C(=O)OC4=CC(=O)CCC4)C

Isomeric SMILES

CCN1C=C2CS(=O)(=O)C3=C(C=C(C(=C3C2=N1)C)C(=O)OC4=CC(=O)CCC4)C

InChI

InChI=1S/C21H22N2O5S/c1-4-23-10-14-11-29(26,27)20-12(2)8-17(13(3)18(20)19(14)22-23)21(25)28-16-7-5-6-15(24)9-16/h8-10H,4-7,11H2,1-3H3