methyl (2R)-5-methylsulfanyl-2-[(2-nitrophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pentanoate

Systemtic Name: methyl (2R)-5-methylsulfanyl-2-[(2-nitrophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pentanoate Openeye Name: methyl (2R)-2-hydroxy-5-methylsulfanyl-2-[(2-nitrophenyl)methyl]-4-oxo-pentanoate CAS Name: (2R)-2-hydroxy-5-(methylthio)-2-[(2-nitrophenyl)methyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl (2R)-2-hydroxy-5-methylsulfanyl-2-[(2-nitrophenyl)methyl]-4-oxopentanoate Traditional Name: (2R)-2-hydroxy-4-keto-5-(methylthio)-2-(2-nitrobenzyl)valeric acid methyl ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1[N+](=O)[O-])(CC(=O)CSC)O

Isomeric SMILES

COC(=O)[C@@](CC1=CC=CC=C1[N+](=O)[O-])(CC(=O)CSC)O

InChI

InChI=1S/C14H17NO6S/c1-21-13(17)14(18,8-11(16)9-22-2)7-10-5-3-4-6-12(10)15(19)20/h3-6,18H,7-9H2,1-2H3/t14-/m1/s1