4-[3-fluoranyl-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid

Systemtic Name: 4-[3-fluoranyl-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid Openeye Name: 4-[3-fluoro-4-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid CAS Name: 4-[3-fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid IUPAC Name: 4-[3-fluoro-4-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid Traditional Name: 4-[3-fluoro-4-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid Formula: C23H19FN2O2S MolecularWeight: 406.472563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C23H19FN2O2S/c1-13(2)16-7-10-20-21(12-16)29-23(26-20)25-19-9-8-17(11-18(19)24)14-3-5-15(6-4-14)22(27)28/h3-13H,1-2H3,(H,25,26)(H,27,28)