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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H23Cl2NO4S MolecularWeight: 420.35052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23Cl2NO4S/c1-18(2,3)15(22)10-25-17(24)14(7-8-26-4)21-16(23)12-6-5-11(19)9-13(12)20/h5-6,9,14H,7-8,10H2,1-4H3,(H,21,23)/t14-/m0/s1