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

Systemtic Name: 2-[3-(4-ethylsulfonylphenyl)sulfanyl-6-fluoranyl-2-methyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-ethylsulfonylphenyl)sulfanyl-6-fluoro-2-methyl-indolizin-1-yl]acetic acid CAS Name: 2-[3-[(4-ethylsulfonylphenyl)thio]-6-fluoro-2-methyl-1-indolizinyl]acetic acid IUPAC Name: 2-[3-(4-ethylsulfonylphenyl)sulfanyl-6-fluoro-2-methylindolizin-1-yl]acetic acid Traditional Name: 2-[3-[(4-esylphenyl)thio]-6-fluoro-2-methyl-indolizin-1-yl]acetic acid Formula: C19H18FNO4S2 MolecularWeight: 407.478923

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)SC2=C(C(=C3N2C=C(C=C3)F)CC(=O)O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)SC2=C(C(=C3N2C=C(C=C3)F)CC(=O)O)C

InChI

InChI=1S/C19H18FNO4S2/c1-3-27(24,25)15-7-5-14(6-8-15)26-19-12(2)16(10-18(22)23)17-9-4-13(20)11-21(17)19/h4-9,11H,3,10H2,1-2H3,(H,22,23)