2-[(3-fluorophenyl)-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[(3-fluorophenyl)-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-(N-(2-benzyl-3-sulfanyl-propanoyl)-3-fluoro-anilino)acetic acid CAS Name: 2-(3-fluoro-N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]anilino)acetic acid IUPAC Name: 2-(N-(2-benzyl-3-sulfanylpropanoyl)-3-fluoroanilino)acetic acid Traditional Name: 2-(N-(2-benzyl-3-mercapto-propanoyl)-3-fluoro-anilino)acetic acid Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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