2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-2-yl-propanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-2-yl-propanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(2-pyridyl)propanoic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(2-pyridinyl)propanoic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-2-ylpropanoic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(2-pyridyl)propionic acid Formula: C15H11ClN2O2S2 MolecularWeight: 350.84304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)(C(=O)O)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C1=CC=CC=N1)(C(=O)O)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C15H11ClN2O2S2/c1-15(13(19)20,12-4-2-3-7-17-12)22-14-18-10-8-9(16)5-6-11(10)21-14/h2-8H,1H3,(H,19,20)