methyl (2R)-2-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[5-(2-chloro-4-nitro-phenyl)-2-furoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O6S/c1-25-17(22)13(7-8-27-2)19-16(21)15-6-5-14(26-15)11-4-3-10(20(23)24)9-12(11)18/h3-6,9,13H,7-8H2,1-2H3,(H,19,21)/t13-/m1/s1