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

Systemtic Name: phenacyl 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: phenacyl 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(2-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-(2-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid phenacyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H15ClN2O3S/c1-13-15-11-19(21(26)27-12-18(25)14-7-3-2-4-8-14)28-20(15)24(23-13)17-10-6-5-9-16(17)22/h2-11H,12H2,1H3