methyl 5-[[(2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[(2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[(2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butanoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H21ClN2O8S MolecularWeight: 484.90734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)[C@H](CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C20H21ClN2O8S/c1-11-15(19(25)29-2)9-13(31-11)10-30-20(26)17(6-7-32-3)22-18(24)14-5-4-12(23(27)28)8-16(14)21/h4-5,8-9,17H,6-7,10H2,1-3H3,(H,22,24)/t17-/m0/s1