[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H19N3O4S/c1-13-16(14(2)23(22-13)15-7-4-3-5-8-15)11-19(25)27-12-18(24)21-20(26)17-9-6-10-28-17/h3-10H,11-12H2,1-2H3,(H,21,24,26)