[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-16(18-9-10-25-15-7-2-1-3-8-15)12-24-17(21)13-5-4-6-14(11-13)19(22)23/h1-8,11H,9-10,12H2,(H,18,20)