[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic 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] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3O4S/c1-31(2,3)26-18-27(34(33-26)21-12-6-4-7-13-21)32-28(35)19-37-30(36)29-24(20-39-22-14-8-5-9-15-22)23-16-10-11-17-25(23)38-29/h4,6-7,10-13,16-18,22H,5,8-9,14-15,19-20H2,1-3H3,(H,32,35)