(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC(=O)CC(C3)(C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC(=O)CC(C3)(C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-12-17-9-18(20(26)27-16-8-15(25)10-21(2,3)11-16)28-19(17)24(23-12)14-6-4-13(22)5-7-14/h4-9H,10-11H2,1-3H3