methyl 2-[5-(2-fluoranylethanoylamino)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[5-(2-fluoranylethanoylamino)-2-nitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[5-[(2-fluoroacetyl)amino]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[5-[(2-fluoro-1-oxoethyl)amino]-2-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(2-fluoroacetyl)amino]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[5-[(2-fluoroacetyl)amino]-2-nitro-phenyl]thio]acetic acid methyl ester Formula: C11H11FN2O5S MolecularWeight: 302.278843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC(=C1)NC(=O)CF)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=CC(=C1)NC(=O)CF)[N+](=O)[O-]

InChI

InChI=1S/C11H11FN2O5S/c1-19-11(16)6-20-9-4-7(13-10(15)5-12)2-3-8(9)14(17)18/h2-4H,5-6H2,1H3,(H,13,15)