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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C18H22FNO6S MolecularWeight: 399.433783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO6S/c1-9(2)16(18(24)25)20-15(22)8-14(27-10(3)21)17(23)11-5-6-13(26-4)12(19)7-11/h5-7,9,14,16H,8H2,1-4H3,(H,20,22)(H,24,25)