[4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate

Systemtic Name: [4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate Openeye Name: [4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] ester Formula: C26H33NO2S MolecularWeight: 423.61072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)CCCCCC

InChI

InChI=1S/C26H33NO2S/c1-3-5-7-9-11-20-13-18-23-24(19-20)30-26(27-23)21-14-16-22(17-15-21)29-25(28)12-10-8-6-4-2/h13-19H,3-12H2,1-2H3