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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]carbonylcyclobutane-1-carboxylic acid Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclobutanecarboxylic acid CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenyl]phenyl]-oxomethyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenyl]benzoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclobutanecarboxylic acid Formula: C25H19FN2O3S MolecularWeight: 446.493363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5S4)F)C(=O)O

Isomeric SMILES

C1CC(C1C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5S4)F)C(=O)O

InChI

InChI=1S/C25H19FN2O3S/c26-19-13-16(9-12-20(19)27-25-28-21-3-1-2-4-22(21)32-25)14-5-7-15(8-6-14)23(29)17-10-11-18(17)24(30)31/h1-9,12-13,17-18H,10-11H2,(H,27,28)(H,30,31)