[2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-keto-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H27N3O4S/c1-18-14-20(3)22(15-19(18)2)23-16-26(31(30-23)21-8-5-4-6-9-21)29-27(33)17-35-28(34)12-11-24(32)25-10-7-13-36-25/h4-10,13-16H,11-12,17H2,1-3H3,(H,29,33)