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

Systemtic Name: [(1R)-1-cyanoethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)O[C@H](C)C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H12ClN3O2S/c1-9(8-18)22-16(21)14-7-13-10(2)19-20(15(13)23-14)12-5-3-4-11(17)6-12/h3-7,9H,1-2H3/t9-/m1/s1