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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-heptanoic acid Openeye Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-heptanoic acid CAS Name: 7-(1,3-benzothiazol-2-yl)-7-cyanoheptanoic acid IUPAC Name: 7-(1,3-benzothiazol-2-yl)-7-cyanoheptanoic acid Traditional Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-enanthic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CCCCCC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CCCCCC(=O)O)C#N

InChI

InChI=1S/C15H16N2O2S/c16-10-11(6-2-1-3-9-14(18)19)15-17-12-7-4-5-8-13(12)20-15/h4-5,7-8,11H,1-3,6,9H2,(H,18,19)