methyl 3-[3-(4-fluorophenyl)sulfanylpropylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[3-(4-fluorophenyl)sulfanylpropylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[3-(4-fluorophenyl)sulfanylpropylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[(4-fluorophenyl)thio]propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-fluorophenyl)sulfanylpropylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-[(4-fluorophenyl)thio]propylcarbamoyl]-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)NCCCSC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCSC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O5S/c1-26-18(23)13-9-12(10-15(11-13)21(24)25)17(22)20-7-2-8-27-16-5-3-14(19)4-6-16/h3-6,9-11H,2,7-8H2,1H3,(H,20,22)