(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C26H28N2O2S/c1-16-12-19(26(4,5)6)13-17(2)22(16)15-30-25(29)23-14-21-18(3)27-28(24(21)31-23)20-10-8-7-9-11-20/h7-14H,15H2,1-6H3