2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-5-fluoranyl-2-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-5-fluoranyl-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-5-fluoro-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-5-fluoro-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[1-(1,3-benzothiazol-2-yl)ethyl]-5-fluoro-2-methyl-indol-1-yl]acetic acid Formula: C20H17FN2O2S MolecularWeight: 368.424583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)C(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17FN2O2S/c1-11(20-22-15-5-3-4-6-17(15)26-20)19-12(2)23(10-18(24)25)16-8-7-13(21)9-14(16)19/h3-9,11H,10H2,1-2H3,(H,24,25)