2-(phenylmethyl)-3-(1,3-thiazol-4-yl)propanoate

Systemtic Name: 2-(phenylmethyl)-3-(1,3-thiazol-4-yl)propanoate Openeye Name: 2-benzyl-3-thiazol-4-yl-propanoate CAS Name: 2-(phenylmethyl)-3-(4-thiazolyl)propanoate IUPAC Name: 2-benzyl-3-(1,3-thiazol-4-yl)propanoate Traditional Name: 2-benzyl-3-thiazol-4-yl-propionate Formula: C13H12NO2S- MolecularWeight: 246.30488

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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)/p-1