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

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-11(16(22)20-18(24)19-13-6-4-3-5-7-13)27-17(23)12-8-9-15(28-2)14(10-12)21(25)26/h8-11,13H,3-7H2,1-2H3,(H2,19,20,22,24)/t11-/m1/s1