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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 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 (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-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 (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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