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

Systemtic Name: (4-ethanoylphenyl) 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-acetylphenyl) 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1-[(2-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-acetylphenyl) ester Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=C(C=C3)C(=O)C)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=C(C=C3)C(=O)C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H17ClN2O3S/c1-13-18-11-20(22(27)28-17-9-7-15(8-10-17)14(2)26)29-21(18)25(24-13)12-16-5-3-4-6-19(16)23/h3-11H,12H2,1-2H3