[2-oxidanylidene-2-(phenethylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S2/c1-30-17-8-7-15(11-16(17)22(25)26)31(27,28)21-12-19(24)29-13-18(23)20-10-9-14-5-3-2-4-6-14/h2-8,11,21H,9-10,12-13H2,1H3,(H,20,23)