2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]anilino)acetic acid CAS Name: 2-(N-[2-[(4-fluorophenyl)methyl]-3-mercapto-1-oxopropyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(4-fluorophenyl)methyl]-3-sulfanylpropanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-(4-fluorobenzyl)-3-mercapto-propanoyl]anilino)acetic acid Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)F)CS

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)F)CS

InChI

InChI=1S/C18H18FNO3S/c19-15-8-6-13(7-9-15)10-14(12-24)18(23)20(11-17(21)22)16-4-2-1-3-5-16/h1-9,14,24H,10-12H2,(H,21,22)