[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5S/c18-15-7-6-12(20(23)24)10-14(15)17(22)25-11-16(21)19-8-9-26-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,21)