(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(2-phenylanilino)ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-phenylanilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C27H27NO4S/c1-27(2,3)24(29)17-32-26(31)21-14-8-10-16-23(21)33-18-25(30)28-22-15-9-7-13-20(22)19-11-5-4-6-12-19/h4-16H,17-18H2,1-3H3,(H,28,30)