3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[[2-(2-pyridyl)thiazol-4-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[2-(2-pyridinyl)-4-thiazolyl]methylthio]propanoic acid IUPAC Name: 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[[2-(2-pyridyl)thiazol-4-yl]methylthio]propionic acid Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=CS2)CSCCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=CS2)CSCCC(=O)O

InChI

InChI=1S/C12H12N2O2S2/c15-11(16)4-6-17-7-9-8-18-12(14-9)10-3-1-2-5-13-10/h1-3,5,8H,4,6-7H2,(H,15,16)