2-[4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid Openeye Name: 2-[4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)O

InChI

InChI=1S/C28H26N2O4S/c1-2-34-21-14-15-24-25(16-21)35-28(30-24)29-20-12-10-18(11-13-20)17-6-8-19(9-7-17)26(31)22-4-3-5-23(22)27(32)33/h6-16,22-23H,2-5H2,1H3,(H,29,30)(H,32,33)