[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)C3=CC=C(S3)CNC(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)C3=CC=C(S3)CNC(=O)C

InChI

InChI=1S/C22H23N3O4S/c1-13-20(14(2)25(24-13)17-8-6-5-7-9-17)22(28)29-15(3)21(27)19-11-10-18(30-19)12-23-16(4)26/h5-11,15H,12H2,1-4H3,(H,23,26)