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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC

InChI

InChI=1S/C16H16N4O2S/c1-11-14(15(17-2)23-19-11)16(21)22-10-12-4-6-13(7-5-12)20-9-3-8-18-20/h3-9,17H,10H2,1-2H3