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

Systemtic Name: 3-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclohexane-1-carboxylic acid Openeye Name: 3-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclohexanecarboxylic acid CAS Name: 3-[[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclohexane-1-carboxylic acid Traditional Name: 3-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclohexanecarboxylic acid Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC(C5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC(C5)C(=O)O

InChI

InChI=1S/C28H26N2O4S/c1-34-23-13-14-24-25(16-23)35-28(30-24)29-22-11-9-18(10-12-22)17-5-7-19(8-6-17)26(31)20-3-2-4-21(15-20)27(32)33/h5-14,16,20-21H,2-4,15H2,1H3,(H,29,30)(H,32,33)