2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(3-fluorophenyl)amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(3-fluorophenyl)amino]ethanoic acid Openeye Name: 2-(N-(3-acetylsulfanyl-2-methyl-propanoyl)-3-fluoro-anilino)acetic acid CAS Name: 2-(N-[3-(acetylthio)-2-methyl-1-oxopropyl]-3-fluoroanilino)acetic acid IUPAC Name: 2-(N-(3-acetylsulfanyl-2-methylpropanoyl)-3-fluoroanilino)acetic acid Traditional Name: 2-(N-[3-(acetylthio)-2-methyl-propanoyl]-3-fluoro-anilino)acetic acid Formula: C14H16FNO4S MolecularWeight: 313.344543

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=CC(=CC=C1)F

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=CC(=CC=C1)F

InChI

InChI=1S/C14H16FNO4S/c1-9(8-21-10(2)17)14(20)16(7-13(18)19)12-5-3-4-11(15)6-12/h3-6,9H,7-8H2,1-2H3,(H,18,19)