(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-14(2)20(24-21(27)19-10-7-11-30-19)22(28)29-13-18-17(12-23)15(3)25-26(18)16-8-5-4-6-9-16/h4-11,14,20H,13H2,1-3H3,(H,24,27)