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

Systemtic Name: 2-[6-bromanyl-3-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[6-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid CAS Name: 2-[6-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1-indolyl]acetic acid IUPAC Name: 2-[6-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid Traditional Name: 2-[6-bromo-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid Formula: C18H10BrF3N2O2S MolecularWeight: 455.24841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)N(C=C2CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)N(C=C2CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

InChI

InChI=1S/C18H10BrF3N2O2S/c19-9-1-2-10-8(6-24(7-15(25)26)13(10)4-9)3-14-23-17-16(22)11(20)5-12(21)18(17)27-14/h1-2,4-6H,3,7H2,(H,25,26)