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

Systemtic Name: 4-oxidanylidene-2-(4-phenyl-1,3-benzothiazol-2-yl)-4-sulfanyl-butanoic acid Openeye Name: 4-oxo-2-(4-phenyl-1,3-benzothiazol-2-yl)-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-4-oxo-2-(4-phenyl-1,3-benzothiazol-2-yl)butanoic acid IUPAC Name: 4-oxo-2-(4-phenyl-1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-(4-phenyl-1,3-benzothiazol-2-yl)butyric acid Formula: C17H13NO3S2 MolecularWeight: 343.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=CC=C2)SC(=N3)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=CC=C2)SC(=N3)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C17H13NO3S2/c19-14(22)9-12(17(20)21)16-18-15-11(7-4-8-13(15)23-16)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,19,22)(H,20,21)