[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O7S/c26-20(8-13-33-17-4-2-1-3-5-17)23-21(27)15-32-22(28)18-14-16(25(29)30)6-7-19(18)24-9-11-31-12-10-24/h1-7,14H,8-13,15H2,(H,23,26,27)