[7-(1,3-benzothiazol-2-ylamino)-7-oxidanylidene-heptyl]boronic acid

Systemtic Name: [7-(1,3-benzothiazol-2-ylamino)-7-oxidanylidene-heptyl]boronic acid Openeye Name: [7-(1,3-benzothiazol-2-ylamino)-7-oxo-heptyl]boronic acid CAS Name: [7-(1,3-benzothiazol-2-ylamino)-7-oxoheptyl]boronic acid IUPAC Name: [7-(1,3-benzothiazol-2-ylamino)-7-oxoheptyl]boronic acid Traditional Name: [7-(1,3-benzothiazol-2-ylamino)-7-keto-heptyl]boronic acid Formula: C14H19BN2O3S MolecularWeight: 306.18826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCCC(=O)NC1=NC2=CC=CC=C2S1)(O)O

Isomeric SMILES

B(CCCCCCC(=O)NC1=NC2=CC=CC=C2S1)(O)O

InChI

InChI=1S/C14H19BN2O3S/c18-13(9-3-1-2-6-10-15(19)20)17-14-16-11-7-4-5-8-12(11)21-14/h4-5,7-8,19-20H,1-3,6,9-10H2,(H,16,17,18)