(2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 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 (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 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 (2-isopropoxy-2-keto-ethyl) ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)OC(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)OC(C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O4S/c1-10(2)25-16(22)9-24-18(23)15-8-14-11(3)20-21(17(14)26-15)13-6-4-12(19)5-7-13/h4-8,10H,9H2,1-3H3