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

Systemtic Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]iminopropanoic acid Openeye Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]iminopropanoic acid CAS Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexylmethoxy]iminopropanoic acid IUPAC Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexylmethoxy]iminopropanoic acid Traditional Name: (2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methyl]oximinopropionic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C/C(=N\OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)/C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-16(24(27)28)26-30-23(17-7-3-2-4-8-17)18-11-13-19(14-12-18)29-15-22-25-20-9-5-6-10-21(20)31-22/h5-6,9-14,17,23H,2-4,7-8,15H2,1H3,(H,27,28)/b26-16+