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

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H14ClN3O3S/c1-12-15-10-18(29-20(15)25(24-12)14-8-6-13(22)7-9-14)21(26)27-11-19-23-16-4-2-3-5-17(16)28-19/h2-10H,11H2,1H3