(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H24ClNO4S MolecularWeight: 385.90546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H24ClNO4S/c1-18(2,3)15(21)11-24-17(23)14(9-10-25-4)20-16(22)12-5-7-13(19)8-6-12/h5-8,14H,9-11H2,1-4H3,(H,20,22)/t14-/m0/s1