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

Systemtic Name: 2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-anilinothiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(2-anilino-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2-anilinothiazol-4-yl)methylthio]propionic acid Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CSC(=N1)NC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=CSC(=N1)NC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S2/c1-9(12(16)17)18-7-11-8-19-13(15-11)14-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15)(H,16,17)