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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c21-17(19-10-5-11-26-16-8-2-1-3-9-16)13-25-18(22)14-6-4-7-15(12-14)20(23)24/h1-4,6-9,12H,5,10-11,13H2,(H,19,21)