(3-cyclohexylphenyl) 4-(6-methyl-1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (3-cyclohexylphenyl) 4-(6-methyl-1,3-benzothiazol-2-yl)benzoate Openeye Name: (3-cyclohexylphenyl) 4-(6-methyl-1,3-benzothiazol-2-yl)benzoate CAS Name: 4-(6-methyl-1,3-benzothiazol-2-yl)benzoic acid (3-cyclohexylphenyl) ester IUPAC Name: (3-cyclohexylphenyl) 4-(6-methyl-1,3-benzothiazol-2-yl)benzoate Traditional Name: 4-(6-methyl-1,3-benzothiazol-2-yl)benzoic acid (3-cyclohexylphenyl) ester Formula: C27H25NO2S MolecularWeight: 427.5579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)OC4=CC=CC(=C4)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)OC4=CC=CC(=C4)C5CCCCC5

InChI

InChI=1S/C27H25NO2S/c1-18-10-15-24-25(16-18)31-26(28-24)20-11-13-21(14-12-20)27(29)30-23-9-5-8-22(17-23)19-6-3-2-4-7-19/h5,8-17,19H,2-4,6-7H2,1H3