(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C20H26N2O2S MolecularWeight: 358.49764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CSC(=N2)NCC=C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CSC(=N2)NCC=C)C)C(C)(C)C

InChI

InChI=1S/C20H26N2O2S/c1-7-8-21-19-22-17(12-25-19)18(23)24-11-16-13(2)9-15(10-14(16)3)20(4,5)6/h7,9-10,12H,1,8,11H2,2-6H3,(H,21,22)