2-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-carbamoyl-2-fluoro-phenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-carbamoyl-2-fluorophenyl)methylthio]benzoic acid IUPAC Name: 2-[(4-carbamoyl-2-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-carbamoyl-2-fluoro-benzyl)thio]benzoic acid Formula: C15H12FNO3S MolecularWeight: 305.324083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)C(=O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)C(=O)N)F

InChI

InChI=1S/C15H12FNO3S/c16-12-7-9(14(17)18)5-6-10(12)8-21-13-4-2-1-3-11(13)15(19)20/h1-7H,8H2,(H2,17,18)(H,19,20)