3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]amino]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c16-10(7-13-6-5-11(17)18)15-12-14-8-3-1-2-4-9(8)19-12/h1-4,13H,5-7H2,(H,17,18)(H,14,15,16)