3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C14H12N2O3S MolecularWeight: 288.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H12N2O3S/c17-14-15(11-5-1-2-6-12(11)19-14)9-10-20-13-7-3-4-8-16(13)18/h1-8H,9-10H2