2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-ethanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-acetic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-phenylacetic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylacetic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-phenyl-acetic acid Formula: C15H11NO2S2 MolecularWeight: 301.38334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H11NO2S2/c17-14(18)13(10-6-2-1-3-7-10)20-15-16-11-8-4-5-9-12(11)19-15/h1-9,13H,(H,17,18)