(2S)-2-[6-fluoranyl-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indolizin-1-yl]propanoic acid

Systemtic Name: (2S)-2-[6-fluoranyl-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indolizin-1-yl]propanoic acid Openeye Name: (2S)-2-[6-fluoro-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indolizin-1-yl]propanoic acid CAS Name: (2S)-2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)thio]-1-indolizinyl]propanoic acid IUPAC Name: (2S)-2-[6-fluoro-2-methyl-3-(4-methylsulfonylphenyl)sulfanylindolizin-1-yl]propanoic acid Traditional Name: (2S)-2-[6-fluoro-3-[(4-mesylphenyl)thio]-2-methyl-indolizin-1-yl]propionic acid Formula: C19H18FNO4S2 MolecularWeight: 407.478923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1C(C)C(=O)O)F)SC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1[C@H](C)C(=O)O)F)SC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H18FNO4S2/c1-11-17(12(2)19(22)23)16-9-4-13(20)10-21(16)18(11)26-14-5-7-15(8-6-14)27(3,24)25/h4-10,12H,1-3H3,(H,22,23)/t12-/m0/s1