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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H12N2O3S2/c1-7(11(16)17)18-6-10(15)14-12-13-8-4-2-3-5-9(8)19-12/h2-5,7H,6H2,1H3,(H,16,17)(H,13,14,15)