methyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O5S/c1-26-18(23)14-8-13(9-15(10-14)21(24)25)17(22)20-6-7-27-11-12-4-2-3-5-16(12)19/h2-5,8-10H,6-7,11H2,1H3,(H,20,22)