2-[4-[3-fluoranyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylate

Systemtic Name: 2-[4-[3-fluoranyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylate Openeye Name: 2-[4-[3-fluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylate CAS Name: 2-[[4-[3-fluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylate IUPAC Name: 2-[4-[3-fluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylate Traditional Name: 2-[4-[3-fluoro-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylate Formula: C27H22FN2O4S- MolecularWeight: 489.537983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)[O-])F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)[O-])F

InChI

InChI=1S/C27H23FN2O4S/c1-34-18-10-12-23-24(14-18)35-27(30-23)29-22-11-9-17(13-21(22)28)15-5-7-16(8-6-15)25(31)19-3-2-4-20(19)26(32)33/h5-14,19-20H,2-4H2,1H3,(H,29,30)(H,32,33)/p-1