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

Systemtic Name: phenacyl 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O3S/c1-14-17-11-20(22(27)28-13-19(26)15-7-3-2-4-8-15)29-21(17)25(24-14)12-16-9-5-6-10-18(16)23/h2-11H,12-13H2,1H3