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

Systemtic Name: 3-cyanopropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: 3-cyanopropyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid 3-cyanopropyl ester Formula: C10H13N3O2S MolecularWeight: 239.29412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCCCC#N)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCCCC#N)NC

InChI

InChI=1S/C10H13N3O2S/c1-7-8(9(12-2)16-13-7)10(14)15-6-4-3-5-11/h12H,3-4,6H2,1-2H3