2-(phenylmethyl)-3-(1,3-thiazol-4-yl)propanoic acid

Systemtic Name: 2-(phenylmethyl)-3-(1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-benzyl-3-thiazol-4-yl-propanoic acid CAS Name: 2-(phenylmethyl)-3-(4-thiazolyl)propanoic acid IUPAC Name: 2-benzyl-3-(1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-benzyl-3-thiazol-4-yl-propionic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CSC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CSC=N2)C(=O)O

InChI

InChI=1S/C13H13NO2S/c15-13(16)11(7-12-8-17-9-14-12)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,15,16)