(4-cyanophenyl)methyl 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate Openeye Name: (4-cyanophenyl)methyl 4-methyl-2-(phenethylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-(phenethylamino)-5-thiazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(phenethylamino)thiazole-5-carboxylic acid (4-cyanobenzyl) ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2S/c1-15-19(20(25)26-14-18-9-7-17(13-22)8-10-18)27-21(24-15)23-12-11-16-5-3-2-4-6-16/h2-10H,11-12,14H2,1H3,(H,23,24)