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

Systemtic Name: (4-cyanophenyl)methyl 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid (4-cyanobenzyl) ester Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O2S/c1-8-11(12(15)19-16-8)13(17)18-7-10-4-2-9(6-14)3-5-10/h2-5H,7,15H2,1H3