(2,6-dimethoxyphenyl) 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2,6-dimethoxyphenyl) 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2,6-dimethoxyphenyl) 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2,6-dimethoxyphenyl) ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=CC=C3OC)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=CC=C3OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c1-14-16-12-19(22(25)28-20-17(26-2)10-7-11-18(20)27-3)29-21(16)24(23-14)13-15-8-5-4-6-9-15/h4-12H,13H2,1-3H3