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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C10H10N2O2S/c11-6(10(13)14)5-9-12-7-3-1-2-4-8(7)15-9/h1-4,6H,5,11H2,(H,13,14)/t6-/m0/s1