(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 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 (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 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 (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H16ClN3O3S MolecularWeight: 425.88804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O3S/c1-12-14-11-17(21(27)28-18(19(23)26)13-7-3-2-4-8-13)29-20(14)25(24-12)16-10-6-5-9-15(16)22/h2-11,18H,1H3,(H2,23,26)