2-azanyl-3-[5,6-bis(chloranyl)-1,3-benzothiazol-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5,6-bis(chloranyl)-1,3-benzothiazol-2-yl]propanoic acid Openeye Name: 2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid CAS Name: 2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid IUPAC Name: 2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid Traditional Name: 2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propionic acid Formula: C10H8Cl2N2O2S MolecularWeight: 291.15372

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)Cl)SC(=N2)CC(C(=O)O)N

Isomeric SMILES

C1=C2C(=CC(=C1Cl)Cl)SC(=N2)CC(C(=O)O)N

InChI

InChI=1S/C10H8Cl2N2O2S/c11-4-1-7-8(2-5(4)12)17-9(14-7)3-6(13)10(15)16/h1-2,6H,3,13H2,(H,15,16)