2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-3-yl-propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-3-yl-propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(3-pyridyl)propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-(3-pyridinyl)propanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-3-ylpropanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(3-pyridyl)propionic acid Formula: C15H12N2O2S2 MolecularWeight: 316.39798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O2S2/c1-15(13(18)19,10-5-4-8-16-9-10)21-14-17-11-6-2-3-7-12(11)20-14/h2-9H,1H3,(H,18,19)