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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]-4-(methylthio)butyric acid Formula: C18H22FNO6S2 MolecularWeight: 431.498783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO6S2/c1-10(21)28-15(9-16(22)20-13(18(24)25)6-7-27-3)17(23)11-4-5-14(26-2)12(19)8-11/h4-5,8,13,15H,6-7,9H2,1-3H3,(H,20,22)(H,24,25)