[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)C2=CC=C(S2)Br)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)C2=CC=C(S2)Br)C3=CC=CC=C3

InChI

InChI=1S/C17H13BrN2O4S/c1-23-13-9-20(11-5-3-2-4-6-11)19-16(13)17(22)24-10-12(21)14-7-8-15(18)25-14/h2-9H,10H2,1H3