2-[4-[3-chloranyl-1-(8-fluoranyl-3,4-dihydro-2H-thiochromen-6-yl)pyrrolidin-2-yl]but-2-ynoxy]ethanoic acid

Systemtic Name: 2-[4-[3-chloranyl-1-(8-fluoranyl-3,4-dihydro-2H-thiochromen-6-yl)pyrrolidin-2-yl]but-2-ynoxy]ethanoic acid Openeye Name: 2-[4-[3-chloro-1-(8-fluorothiochroman-6-yl)pyrrolidin-2-yl]but-2-ynoxy]acetic acid CAS Name: 2-[4-[3-chloro-1-(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-6-yl)-2-pyrrolidinyl]but-2-ynoxy]acetic acid IUPAC Name: 2-[4-[3-chloro-1-(8-fluoro-3,4-dihydro-2H-thiochromen-6-yl)pyrrolidin-2-yl]but-2-ynoxy]acetic acid Traditional Name: 2-[4-[3-chloro-1-(8-fluorothiochroman-6-yl)pyrrolidin-2-yl]but-2-ynoxy]acetic acid Formula: C19H21ClFNO3S MolecularWeight: 397.891343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=CC(=C2SC1)F)N3CCC(C3CC#CCOCC(=O)O)Cl

Isomeric SMILES

C1CC2=CC(=CC(=C2SC1)F)N3CCC(C3CC#CCOCC(=O)O)Cl

InChI

InChI=1S/C19H21ClFNO3S/c20-15-6-7-22(17(15)5-1-2-8-25-12-18(23)24)14-10-13-4-3-9-26-19(13)16(21)11-14/h10-11,15,17H,3-9,12H2,(H,23,24)