[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(S2)Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(S2)Cl)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H14Cl2N2O3S/c1-11-16(17(20)22(21-11)9-12-5-3-2-4-6-12)18(24)25-10-13(23)14-7-8-15(19)26-14/h2-8H,9-10H2,1H3