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

Systemtic Name: (3-acetamidophenyl) 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (3-acetamidophenyl) 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (3-acetamidophenyl) ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=CC(=C3)NC(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=CC(=C3)NC(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-14-19-12-20(22(27)28-18-10-6-9-17(11-18)23-15(2)26)29-21(19)25(24-14)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,23,26)