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

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5S/c1-13(24)21-10-15-8-9-18(29-15)16(25)12-28-20(26)19-17(27-2)11-23(22-19)14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3,(H,21,24)