5-ethoxy-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-2-nitro-benzamide

Systemtic Name: 5-ethoxy-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-2-nitro-benzamide Openeye Name: 5-ethoxy-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-2-nitro-benzamide CAS Name: 5-ethoxy-N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-methoxy-2-nitrobenzamide IUPAC Name: 5-ethoxy-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-2-nitrobenzamide Traditional Name: 5-ethoxy-N-[2-[(2-fluorobenzyl)thio]ethyl]-4-methoxy-2-nitro-benzamide Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NCCSCC2=CC=CC=C2F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NCCSCC2=CC=CC=C2F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21FN2O5S/c1-3-27-18-10-14(16(22(24)25)11-17(18)26-2)19(23)21-8-9-28-12-13-6-4-5-7-15(13)20/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,23)