[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O5S/c1-22(2)18-10-9-15(23(26)27)13-17(18)20(25)28-14-19(24)21-11-6-12-29-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,21,24)