3-[(4-bromophenyl)methyl-fluoranyl-amino]-2-(3-methylsulfanylphenoxy)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl-fluoranyl-amino]-2-(3-methylsulfanylphenoxy)-3-oxidanylidene-propanoic acid Openeye Name: 3-[(4-bromophenyl)methyl-fluoro-amino]-2-(3-methylsulfanylphenoxy)-3-oxo-propanoic acid CAS Name: 3-[(4-bromophenyl)methyl-fluoroamino]-2-[3-(methylthio)phenoxy]-3-oxopropanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl-fluoroamino]-2-(3-methylsulfanylphenoxy)-3-oxopropanoic acid Traditional Name: 3-[(4-bromobenzyl)-fluoro-amino]-3-keto-2-[3-(methylthio)phenoxy]propionic acid Formula: C17H15BrFNO4S MolecularWeight: 428.272703

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)OC(C(=O)N(CC2=CC=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)OC(C(=O)N(CC2=CC=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C17H15BrFNO4S/c1-25-14-4-2-3-13(9-14)24-15(17(22)23)16(21)20(19)10-11-5-7-12(18)8-6-11/h2-9,15H,10H2,1H3,(H,22,23)