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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C13H13N3O4S/c1-8-11(12(14-2)21-15-8)13(17)20-7-9-3-5-10(6-4-9)16(18)19/h3-6,14H,7H2,1-2H3