[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C28H29NO4S/c1-28(2,3)21-15-13-20(14-16-21)24(30)17-18-27(32)33-19-26(31)29-23-11-7-8-12-25(23)34-22-9-5-4-6-10-22/h4-16H,17-19H2,1-3H3,(H,29,31)