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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclopentanecarboxylic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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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

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

InChI

InChI=1S/C26H22N2O3S/c29-24(20-4-3-5-21(20)25(30)31)18-10-8-16(9-11-18)17-12-14-19(15-13-17)27-26-28-22-6-1-2-7-23(22)32-26/h1-2,6-15,20-21H,3-5H2,(H,27,28)(H,30,31)