ethyl 3-nitro-5-(2-phenylsulfanylethylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(2-phenylsulfanylethylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-(2-phenylsulfanylethylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-[2-(phenylthio)ethylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(2-phenylsulfanylethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-[2-(phenylthio)ethylcarbamoyl]benzoic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)14-10-13(11-15(12-14)20(23)24)17(21)19-8-9-26-16-6-4-3-5-7-16/h3-7,10-12H,2,8-9H2,1H3,(H,19,21)