2-(6-azanyl-1,3-benzoxazol-2-yl)ethanethioic S-acid

Systemtic Name: 2-(6-azanyl-1,3-benzoxazol-2-yl)ethanethioic S-acid Openeye Name: 2-(6-amino-1,3-benzoxazol-2-yl)ethanethioic S-acid CAS Name: 2-(6-amino-1,3-benzoxazol-2-yl)ethanethioic S-acid IUPAC Name: 2-(6-amino-1,3-benzoxazol-2-yl)ethanethioic S-acid Traditional Name: 2-(6-amino-1,3-benzoxazol-2-yl)thioacetic acid Formula: C9H8N2O2S MolecularWeight: 208.23702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)OC(=N2)CC(=O)S

Isomeric SMILES

C1=CC2=C(C=C1N)OC(=N2)CC(=O)S

InChI

InChI=1S/C9H8N2O2S/c10-5-1-2-6-7(3-5)13-8(11-6)4-9(12)14/h1-3H,4,10H2,(H,12,14)