(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic 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=C1F)SCCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

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