6-[3-(1H-imidazol-5-yl)propoxy]-1,3-benzoxathiol-2-one

Systemtic Name: 6-[3-(1H-imidazol-5-yl)propoxy]-1,3-benzoxathiol-2-one Openeye Name: 6-[3-(1H-imidazol-5-yl)propoxy]-1,3-benzoxathiol-2-one CAS Name: 6-[3-(1H-imidazol-5-yl)propoxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-[3-(1H-imidazol-5-yl)propoxy]-1,3-benzoxathiol-2-one Traditional Name: 6-[3-(1H-imidazol-5-yl)propoxy]-1,3-benzoxathiol-2-one Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OCCCC3=CN=CN3)OC(=O)S2

Isomeric SMILES

C1=CC2=C(C=C1OCCCC3=CN=CN3)OC(=O)S2

InChI

InChI=1S/C13H12N2O3S/c16-13-18-11-6-10(3-4-12(11)19-13)17-5-1-2-9-7-14-8-15-9/h3-4,6-8H,1-2,5H2,(H,14,15)