2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-4-yl-propanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-4-yl-propanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-pyridyl)propanoic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-pyridin-4-ylpropanoic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-4-ylpropanoic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(4-pyridyl)propionic acid Formula: C15H11ClN2O2S2 MolecularWeight: 350.84304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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