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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]carbonylcyclopropane-1-carboxylic acid Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclopropanecarboxylic acid CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenyl]phenyl]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenyl]benzoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclopropanecarboxylic acid Formula: C24H17FN2O3S MolecularWeight: 432.466783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17FN2O3S/c25-18-11-15(9-10-19(18)26-24-27-20-3-1-2-4-21(20)31-24)13-5-7-14(8-6-13)22(28)16-12-17(16)23(29)30/h1-11,16-17H,12H2,(H,26,27)(H,29,30)