2-(cyanomethyl)-3-methyl-3H-1,2-thiazole-5-carboxylic acid

Systemtic Name: 2-(cyanomethyl)-3-methyl-3H-1,2-thiazole-5-carboxylic acid Openeye Name: 2-(cyanomethyl)-3-methyl-3H-isothiazole-5-carboxylic acid CAS Name: 2-(cyanomethyl)-3-methyl-3H-isothiazole-5-carboxylic acid IUPAC Name: 2-(cyanomethyl)-3-methyl-3H-1,2-thiazole-5-carboxylic acid Traditional Name: 2-(cyanomethyl)-3-methyl-4-isothiazoline-5-carboxylic acid Formula: C7H8N2O2S MolecularWeight: 184.21562

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(SN1CC#N)C(=O)O

Isomeric SMILES

CC1C=C(SN1CC#N)C(=O)O

InChI

InChI=1S/C7H8N2O2S/c1-5-4-6(7(10)11)12-9(5)3-2-8/h4-5H,3H2,1H3,(H,10,11)