6-(1,3-benzothiazol-2-yl)-6-cyano-6-phenyl-hexanoic acid

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-6-phenyl-hexanoic acid Openeye Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-6-phenyl-hexanoic acid CAS Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-6-phenylhexanoic acid IUPAC Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-6-phenylhexanoic acid Traditional Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-6-phenyl-hexanoic acid Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCC(=O)O)(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCC(=O)O)(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O2S/c21-14-20(13-7-6-12-18(23)24,15-8-2-1-3-9-15)19-22-16-10-4-5-11-17(16)25-19/h1-5,8-11H,6-7,12-13H2,(H,23,24)