(3,5-dimethylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (3,5-dimethylbenzyl) ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CSC(=N2)NCC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CSC(=N2)NCC=C)C

InChI

InChI=1S/C16H18N2O2S/c1-4-5-17-16-18-14(10-21-16)15(19)20-9-13-7-11(2)6-12(3)8-13/h4,6-8,10H,1,5,9H2,2-3H3,(H,17,18)