(2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromanyl-phenyl]-cyclohexyl-methoxy]iminoethanoic acid

Systemtic Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromanyl-phenyl]-cyclohexyl-methoxy]iminoethanoic acid Openeye Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromo-phenyl]-cyclohexyl-methoxy]iminoacetic acid CAS Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromophenyl]-cyclohexylmethoxy]iminoacetic acid IUPAC Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromophenyl]-cyclohexylmethoxy]iminoacetic acid Traditional Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromo-phenyl]-cyclohexyl-methyl]oximinoacetic acid Formula: C23H23BrN2O4S MolecularWeight: 503.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4S3)Br)ON=CC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4S3)Br)O/N=C/C(=O)O

InChI

InChI=1S/C23H23BrN2O4S/c24-18-12-16(29-14-21-26-19-8-4-5-9-20(19)31-21)10-11-17(18)23(30-25-13-22(27)28)15-6-2-1-3-7-15/h4-5,8-13,15,23H,1-3,6-7,14H2,(H,27,28)/b25-13+