(2-methoxy-5-methyl-phenyl)methyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-methoxy-5-methyl-benzyl) ester Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN2O3S/c1-13-4-9-19(27-3)15(10-13)12-28-22(26)20-11-18-14(2)24-25(21(18)29-20)17-7-5-16(23)6-8-17/h4-11H,12H2,1-3H3