(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-24-13-8-7-11(9-12(13)18(21)22)16(20)23-14(15(17)19)10-5-3-2-4-6-10/h2-9,14H,1H3,(H2,17,19)