[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S/c1-11-8-14(12(2)24-11)17(21)10-23-18(22)16-9-15(19-20-16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,20)