2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenyl]benzoyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclopentanecarboxylic acid Formula: C26H21FN2O3S MolecularWeight: 460.519943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)C(=O)O)C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5S4)F

Isomeric SMILES

C1CC(C(C1)C(=O)O)C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5S4)F

InChI

InChI=1S/C26H21FN2O3S/c27-20-14-17(12-13-21(20)28-26-29-22-6-1-2-7-23(22)33-26)15-8-10-16(11-9-15)24(30)18-4-3-5-19(18)25(31)32/h1-2,6-14,18-19H,3-5H2,(H,28,29)(H,31,32)