2-[2-azanyl-5-fluoranyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-azanyl-5-fluoranyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoic acid Openeye Name: 2-[2-amino-5-fluoro-3-(4-methylsulfanylbenzoyl)phenyl]acetic acid CAS Name: 2-[2-amino-5-fluoro-3-[[4-(methylthio)phenyl]-oxomethyl]phenyl]acetic acid IUPAC Name: 2-[2-amino-5-fluoro-3-(4-methylsulfanylbenzoyl)phenyl]acetic acid Traditional Name: 2-[2-amino-5-fluoro-3-[4-(methylthio)benzoyl]phenyl]acetic acid Formula: C16H14FNO3S MolecularWeight: 319.350663

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC(=O)O)F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC(=O)O)F

InChI

InChI=1S/C16H14FNO3S/c1-22-12-4-2-9(3-5-12)16(21)13-8-11(17)6-10(15(13)18)7-14(19)20/h2-6,8H,7,18H2,1H3,(H,19,20)