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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H23N3O3S/c1-15-21(16(2)24(23-15)17-8-4-3-5-9-17)22-19(25)14-27-20(26)12-6-10-18-11-7-13-28-18/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3,(H,22,25)