2-[(4-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thio]-2-phenyl-acetic acid Formula: C15H10ClNO2S2 MolecularWeight: 335.8284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C15H10ClNO2S2/c16-10-7-4-8-11-12(10)17-15(20-11)21-13(14(18)19)9-5-2-1-3-6-9/h1-8,13H,(H,18,19)