(4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-[(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-[(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-fluorobenzyl)thio]acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H15FN2O5S MolecularWeight: 378.374803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C17H15FN2O5S/c18-14-5-1-11(2-6-14)9-26-10-16(21)25-8-13-4-3-12(17(19)22)7-15(13)20(23)24/h1-7H,8-10H2,(H2,19,22)