2-(1,3-benzoxazol-2-ylmethylsulfanyl)ethanoic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)ethanoic acid Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)acetic acid CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)acetic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)acetic acid Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)acetic acid Formula: C10H9NO3S MolecularWeight: 223.24836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CSCC(=O)O

InChI

InChI=1S/C10H9NO3S/c12-10(13)6-15-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)