(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(o-toluidino)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:

CC1=CC=CC=C1NC(=O)C(C)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H27NO4S/c1-15-10-6-8-12-18(15)24-21(26)16(2)29-19-13-9-7-11-17(19)22(27)28-14-20(25)23(3,4)5/h6-13,16H,14H2,1-5H3,(H,24,26)/t16-/m0/s1