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

Systemtic Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-13(20(24)22-17-9-5-7-14-6-3-4-8-16(14)17)28-21(25)15-10-11-19(29-2)18(12-15)23(26)27/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1