(3,3-dimethyl-2-oxidanylidene-butyl) 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCCC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCCC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C23H27NO4S/c1-23(2,3)20(25)16-28-22(27)11-7-10-21(26)24-17-12-14-19(15-13-17)29-18-8-5-4-6-9-18/h4-6,8-9,12-15H,7,10-11,16H2,1-3H3,(H,24,26)