2-[2-[(phenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(phenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(benzylamino)thiazol-4-yl]acetic acid CAS Name: 2-[2-[(phenylmethyl)amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(benzylamino)thiazol-4-yl]acetic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CS2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C12H12N2O2S/c15-11(16)6-10-8-17-12(14-10)13-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)