3-azanyl-3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoate

Systemtic Name: 3-azanyl-3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoate Openeye Name: 3-amino-3-(5-chloro-1,3-benzothiazol-2-yl)propanoate CAS Name: 3-amino-3-(5-chloro-1,3-benzothiazol-2-yl)propanoate IUPAC Name: 3-amino-3-(5-chloro-1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-amino-3-(5-chloro-1,3-benzothiazol-2-yl)propionate Formula: C10H8ClN2O2S- MolecularWeight: 255.70072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)C(CC(=O)[O-])N

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)C(CC(=O)[O-])N

InChI

InChI=1S/C10H9ClN2O2S/c11-5-1-2-8-7(3-5)13-10(16-8)6(12)4-9(14)15/h1-3,6H,4,12H2,(H,14,15)/p-1