[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=CSC(=N2)NCC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=CSC(=N2)NCC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3S/c1-5-11-23-21-24-16(14-31-21)20(29)30-13-19(28)25-18-12-17(22(2,3)4)26-27(18)15-9-7-6-8-10-15/h5-10,12,14H,1,11,13H2,2-4H3,(H,23,24)(H,25,28)