2-(2-fluoranylphenoxy)ethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(2-fluorophenoxy)ethyl 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(2-fluorophenoxy)ethyl ester IUPAC Name: 2-(2-fluorophenoxy)ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid 2-(2-fluorophenoxy)ethyl ester Formula: C20H20ClFN2O6S MolecularWeight: 470.899003

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCOC1=CC=CC=C1F)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCC(C(=O)OCCOC1=CC=CC=C1F)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClFN2O6S/c1-31-11-8-17(20(26)30-10-9-29-18-5-3-2-4-16(18)22)23-19(25)14-7-6-13(24(27)28)12-15(14)21/h2-7,12,17H,8-11H2,1H3,(H,23,25)