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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 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 (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 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 (2-keto-3,3-dimethyl-butyl) ester Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O3S/c1-11-14-9-15(18(24)25-10-16(23)19(2,3)4)26-17(14)22(21-11)13-7-5-12(20)6-8-13/h5-9H,10H2,1-4H3