2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-4-yl-propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-4-yl-propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-pyridyl)propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-pyridin-4-ylpropanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-4-ylpropanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(4-pyridyl)propionic acid Formula: C15H12N2O2S2 MolecularWeight: 316.39798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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