2-(2-fluorophenyl)sulfanylethyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18FNO6S/c1-3-25-16-10-12(14(20(22)23)11-15(16)24-2)18(21)26-8-9-27-17-7-5-4-6-13(17)19/h4-7,10-11H,3,8-9H2,1-2H3