(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl]sulfanylbenzoate CAS Name: 2-[[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanylbenzoate Traditional Name: 2-[[(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl]thio]benzoic 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)C1=CC=CC=C1SC(C2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1S[C@H](C2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C23H27NO4S/c1-23(2,3)19(25)15-28-22(27)17-13-9-10-14-18(17)29-20(21(26)24(4)5)16-11-7-6-8-12-16/h6-14,20H,15H2,1-5H3/t20-/m1/s1