2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C24H23FN2O6S MolecularWeight: 486.512623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C24H23FN2O6S/c1-13(28)34-21(23(30)14-7-8-20(33-2)17(25)9-14)11-22(29)27-19(24(31)32)10-15-12-26-18-6-4-3-5-16(15)18/h3-9,12,19,21,26H,10-11H2,1-2H3,(H,27,29)(H,31,32)