(4-cyano-2-methoxy-phenyl) 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=C(C=C3)C#N)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=C(C=C3)C#N)OC)CC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c1-14-17-11-20(22(26)28-18-9-8-16(12-23)10-19(18)27-2)29-21(17)25(24-14)13-15-6-4-3-5-7-15/h3-11H,13H2,1-2H3