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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic 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] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C21H22N4O4S/c1-14-20(15(2)25(24-14)17-6-4-3-5-7-17)23-18(26)12-29-19(27)8-10-22-21(28)16-9-11-30-13-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,28)(H,23,26)