ethyl 3-nitro-5-[2-(phenylmethylsulfanyl)ethylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[2-(phenylmethylsulfanyl)ethylcarbamoyl]benzoate Openeye Name: ethyl 3-(2-benzylsulfanylethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[2-(phenylmethylthio)ethylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzylsulfanylethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-[2-(benzylthio)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-2-26-19(23)16-10-15(11-17(12-16)21(24)25)18(22)20-8-9-27-13-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3,(H,20,22)