[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic 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] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3S/c1-26(2,3)21-16-22(30(29-21)18-10-5-4-6-11-18)28-23(31)17-33-25(32)15-9-14-24-27-19-12-7-8-13-20(19)34-24/h4-8,10-13,16H,9,14-15,17H2,1-3H3,(H,28,31)