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

Systemtic Name: methyl 3-nitro-5-(2-phenylsulfanylethylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(2-phenylsulfanylethylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-[2-(phenylthio)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(2-phenylsulfanylethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-[2-(phenylthio)ethylcarbamoyl]benzoic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-24-17(21)13-9-12(10-14(11-13)19(22)23)16(20)18-7-8-25-15-5-3-2-4-6-15/h2-6,9-11H,7-8H2,1H3,(H,18,20)