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

Systemtic Name: (3-cyanophenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid (3-cyanobenzyl) ester Formula: C14H13N3O2S MolecularWeight: 287.33692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=CC=CC(=C2)C#N)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=CC=CC(=C2)C#N)NC

InChI

InChI=1S/C14H13N3O2S/c1-9-12(13(16-2)20-17-9)14(18)19-8-11-5-3-4-10(6-11)7-15/h3-6,16H,8H2,1-2H3