(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C16H12ClFN2O5S MolecularWeight: 398.793283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C16H12ClFN2O5S/c17-11-2-1-3-12(18)10(11)7-25-15(21)8-26-14-5-4-9(16(19)22)6-13(14)20(23)24/h1-6H,7-8H2,(H2,19,22)