[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O3S/c1-13-9-10-18(26-13)17(23)12-25-20(24)19-14(2)21-22(15(19)3)11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3