7-(1,3-benzothiazol-2-yl)-7-cyano-7-phenyl-heptanoic acid

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-7-phenyl-heptanoic acid Openeye Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-7-phenyl-heptanoic acid CAS Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-7-phenylheptanoic acid IUPAC Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-7-phenylheptanoic acid Traditional Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-7-phenyl-enanthic acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c22-15-21(16-9-3-1-4-10-16,14-8-2-5-13-19(24)25)20-23-17-11-6-7-12-18(17)26-20/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,24,25)