2-[4,5-dimethyl-2-(4-methylphenyl)carbonylimino-1,3-thiazol-3-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4,5-dimethyl-2-(4-methylphenyl)carbonylimino-1,3-thiazol-3-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[4,5-dimethyl-2-(4-methylbenzoyl)imino-thiazol-3-yl]-2-phenyl-acetic acid CAS Name: 2-[4,5-dimethyl-2-[(4-methylphenyl)-oxomethyl]imino-3-thiazolyl]-2-phenylacetic acid IUPAC Name: 2-[4,5-dimethyl-2-(4-methylbenzoyl)imino-1,3-thiazol-3-yl]-2-phenylacetic acid Traditional Name: 2-(4,5-dimethyl-2-p-toluoylimino-4-thiazolin-3-yl)-2-phenyl-acetic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=C2N(C(=C(S2)C)C)C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C2N(C(=C(S2)C)C)C(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O3S/c1-13-9-11-17(12-10-13)19(24)22-21-23(14(2)15(3)27-21)18(20(25)26)16-7-5-4-6-8-16/h4-12,18H,1-3H3,(H,25,26)