[(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCOC)OC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-9(13(17)15-6-7-21-2)22-14(18)10-4-5-12(23-3)11(8-10)16(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)/t9-/m1/s1