2-[6-fluoranyl-2-methyl-3-(4-pyrrolidin-1-ylcarbonylphenyl)sulfanyl-indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-2-methyl-3-(4-pyrrolidin-1-ylcarbonylphenyl)sulfanyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-fluoro-2-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-indolizin-1-yl]acetic acid CAS Name: 2-[6-fluoro-2-methyl-3-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]thio]-1-indolizinyl]acetic acid IUPAC Name: 2-[6-fluoro-2-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]sulfanylindolizin-1-yl]acetic acid Traditional Name: 2-[6-fluoro-2-methyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]thio]indolizin-1-yl]acetic acid Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1CC(=O)O)F)SC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)F)SC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H21FN2O3S/c1-14-18(12-20(26)27)19-9-6-16(23)13-25(19)22(14)29-17-7-4-15(5-8-17)21(28)24-10-2-3-11-24/h4-9,13H,2-3,10-12H2,1H3,(H,26,27)