3-(1,3-benzothiazol-2-ylamino)propanoate

Systemtic Name: 3-(1,3-benzothiazol-2-ylamino)propanoate Openeye Name: 3-(1,3-benzothiazol-2-ylamino)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylamino)propanoate IUPAC Name: 3-(1,3-benzothiazol-2-ylamino)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylamino)propionate Formula: C10H9N2O2S- MolecularWeight: 221.25566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCC(=O)[O-]

InChI

InChI=1S/C10H10N2O2S/c13-9(14)5-6-11-10-12-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,11,12)(H,13,14)/p-1