2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]propanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]propionic acid Formula: C16H18FNO6S MolecularWeight: 371.380623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CC(C(=O)C1=CC(=C(C=C1)OC)F)SC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)CC(C(=O)C1=CC(=C(C=C1)OC)F)SC(=O)C

InChI

InChI=1S/C16H18FNO6S/c1-8(16(22)23)18-14(20)7-13(25-9(2)19)15(21)10-4-5-12(24-3)11(17)6-10/h4-6,8,13H,7H2,1-3H3,(H,18,20)(H,22,23)