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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C19H19N3O8S2 MolecularWeight: 481.49946

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O8S2/c1-31-16-8-7-14(10-15(16)22(26)27)32(28,29)20-11-19(25)30-12-18(24)21-17(23)9-13-5-3-2-4-6-13/h2-8,10,20H,9,11-12H2,1H3,(H,21,23,24)