2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-4-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-4-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]-4-oxo-butanoic acid CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]-4-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-4-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-[(3Z)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]-4-keto-butyric acid Formula: C27H28FNO7S2 MolecularWeight: 561.642123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)C(CC(=O)NC(CCS(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)C(CC(=O)NC(CCS(=O)C)C(=O)O)C(=O)O

InChI

InChI=1S/C27H28FNO7S2/c1-15-20(12-16-4-7-18(8-5-16)38(3)36)19-9-6-17(28)13-21(19)25(15)22(26(31)32)14-24(30)29-23(27(33)34)10-11-37(2)35/h4-9,12-13,22-23H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/b20-12-