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

Systemtic Name: (2,6-dimethoxyphenyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2,6-dimethoxyphenyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2,6-dimethoxyphenyl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-13-15-12-18(28-20(15)23(22-13)14-8-5-4-6-9-14)21(24)27-19-16(25-2)10-7-11-17(19)26-3/h4-12H,1-3H3