[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c1-16-13-20(17(2)30-16)22(27)15-29-24(28)21-14-26(19-11-7-4-8-12-19)25-23(21)18-9-5-3-6-10-18/h3-14H,15H2,1-2H3