3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid

Systemtic Name: 3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid Openeye Name: 3-(2-thioxo-1,3-benzothiazol-3-yl)propanoic acid CAS Name: 3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid IUPAC Name: 3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid Traditional Name: 3-(2-thioxo-1,3-benzothiazol-3-yl)propionic acid Formula: C10H9NO2S2 MolecularWeight: 239.31396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)CCC(=O)O

InChI

InChI=1S/C10H9NO2S2/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)