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

Systemtic Name: (4-phenylmethoxyphenyl) 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-benzyloxyphenyl) 1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 1-[(2-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-benzoxyphenyl) ester Formula: C27H21ClN2O3S MolecularWeight: 488.98524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C27H21ClN2O3S/c1-18-23-15-25(34-26(23)30(29-18)16-20-9-5-6-10-24(20)28)27(31)33-22-13-11-21(12-14-22)32-17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3