2-[2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[2-[(4-benzyloxyphenyl)methylamino]-2-oxo-ethyl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[2-[(4-benzoxybenzyl)amino]-2-keto-ethyl]thiazol-4-yl]acetic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC(=O)CC3=NC(=CS3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC(=O)CC3=NC(=CS3)CC(=O)O

InChI

InChI=1S/C21H20N2O4S/c24-19(11-20-23-17(14-28-20)10-21(25)26)22-12-15-6-8-18(9-7-15)27-13-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,24)(H,25,26)