2-(2-methylphenoxy)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]propanoic acid

Systemtic Name: 2-(2-methylphenoxy)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]propanoic acid Openeye Name: 2-(2-methylphenoxy)-2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]propanoic acid CAS Name: 2-(2-methylphenoxy)-2-[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-(2-methylphenoxy)-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid Traditional Name: 2-(2-methylphenoxy)-2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]propionic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C)(C(=O)O)NC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1OC(C)(C(=O)O)NC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O4S/c1-13-9-7-8-12-16(13)27-21(3,20(25)26)23-18(24)17-14(2)22-19(28-17)15-10-5-4-6-11-15/h4-12H,1-3H3,(H,23,24)(H,25,26)