3-(2-azanyl-1,3-benzothiazol-6-yl)propanoic acid

Systemtic Name: 3-(2-azanyl-1,3-benzothiazol-6-yl)propanoic acid Openeye Name: 3-(2-amino-1,3-benzothiazol-6-yl)propanoic acid CAS Name: 3-(2-amino-1,3-benzothiazol-6-yl)propanoic acid IUPAC Name: 3-(2-amino-1,3-benzothiazol-6-yl)propanoic acid Traditional Name: 3-(2-amino-1,3-benzothiazol-6-yl)propionic acid Formula: C10H10N2O2S MolecularWeight: 222.2636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCC(=O)O)SC(=N2)N

Isomeric SMILES

C1=CC2=C(C=C1CCC(=O)O)SC(=N2)N

InChI

InChI=1S/C10H10N2O2S/c11-10-12-7-3-1-6(2-4-9(13)14)5-8(7)15-10/h1,3,5H,2,4H2,(H2,11,12)(H,13,14)