2-[6-methyl-3-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-3-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid CAS Name: 2-[6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1-indolyl]acetic acid IUPAC Name: 2-[6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid Traditional Name: 2-[6-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid Formula: C19H13F3N2O2S MolecularWeight: 390.37893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F

InChI

InChI=1S/C19H13F3N2O2S/c1-9-2-3-11-10(7-24(8-16(25)26)14(11)4-9)5-15-23-18-17(22)12(20)6-13(21)19(18)27-15/h2-4,6-7H,5,8H2,1H3,(H,25,26)