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

Systemtic Name: ethyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O5S/c1-2-27-19(24)15-9-14(10-16(11-15)22(25)26)18(23)21-7-8-28-12-13-5-3-4-6-17(13)20/h3-6,9-11H,2,7-8,12H2,1H3,(H,21,23)