4-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)butanoic acid

Systemtic Name: 4-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)butanoic acid Openeye Name: 4-(2-thioxo-3H-1,3-benzothiazol-5-yl)butanoic acid CAS Name: 4-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)butanoic acid IUPAC Name: 4-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)butanoic acid Traditional Name: 4-(2-thioxo-3H-1,3-benzothiazol-5-yl)butyric acid Formula: C11H11NO2S2 MolecularWeight: 253.34054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCCC(=O)O)NC(=S)S2

Isomeric SMILES

C1=CC2=C(C=C1CCCC(=O)O)NC(=S)S2

InChI

InChI=1S/C11H11NO2S2/c13-10(14)3-1-2-7-4-5-9-8(6-7)12-11(15)16-9/h4-6H,1-3H2,(H,12,15)(H,13,14)