[2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-(methylthio)butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CN(C)C(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C16H21BrN2O4S/c1-19(2)14(20)10-23-16(22)13(8-9-24-3)18-15(21)11-6-4-5-7-12(11)17/h4-7,13H,8-10H2,1-3H3,(H,18,21)/t13-/m0/s1