2-[6-fluoranyl-2-methyl-5-oxidanyl-1-(thian-4-ylcarbonyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-2-methyl-5-oxidanyl-1-(thian-4-ylcarbonyl)indol-3-yl]ethanoic acid Openeye Name: 2-[6-fluoro-5-hydroxy-2-methyl-1-(tetrahydrothiopyran-4-carbonyl)indol-3-yl]acetic acid CAS Name: 2-[6-fluoro-5-hydroxy-2-methyl-1-[oxo(4-thianyl)methyl]-3-indolyl]acetic acid IUPAC Name: 2-[6-fluoro-5-hydroxy-2-methyl-1-(thiane-4-carbonyl)indol-3-yl]acetic acid Traditional Name: 2-[6-fluoro-5-hydroxy-2-methyl-1-(tetrahydrothiopyran-4-carbonyl)indol-3-yl]acetic acid Formula: C17H18FNO4S MolecularWeight: 351.392523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1C(=O)C3CCSCC3)F)O)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1C(=O)C3CCSCC3)F)O)CC(=O)O

InChI

InChI=1S/C17H18FNO4S/c1-9-11(7-16(21)22)12-6-15(20)13(18)8-14(12)19(9)17(23)10-2-4-24-5-3-10/h6,8,10,20H,2-5,7H2,1H3,(H,21,22)