[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C23H20N2O5S MolecularWeight: 436.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5S/c1-16(17-8-4-2-5-9-17)24-22(26)15-30-23(27)18-12-13-21(20(14-18)25(28)29)31-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,24,26)