4-oxidanylidene-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoic acid Openeye Name: 4-oxo-4-(2-thioxo-1,3-benzothiazol-3-yl)butanoic acid CAS Name: 4-oxo-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoic acid IUPAC Name: 4-oxo-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoic acid Traditional Name: 4-keto-4-(2-thioxo-1,3-benzothiazol-3-yl)butyric acid Formula: C11H9NO3S2 MolecularWeight: 267.32406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO3S2/c13-9(5-6-10(14)15)12-7-3-1-2-4-8(7)17-11(12)16/h1-4H,5-6H2,(H,14,15)