methyl (2S)-2-[[1-(4-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[1-(4-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-(4-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-(4-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21BrN2O4S MolecularWeight: 429.32864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O4S/c1-24-17(23)14(7-8-25-2)19-16(22)11-9-15(21)20(10-11)13-5-3-12(18)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,19,22)/t11?,14-/m0/s1