2-(1-cyano-3-methyl-but-2-enyl)-3-methyl-3H-1,2-thiazole-5-carboxylic acid

Systemtic Name: 2-(1-cyano-3-methyl-but-2-enyl)-3-methyl-3H-1,2-thiazole-5-carboxylic acid Openeye Name: 2-(1-cyano-3-methyl-but-2-enyl)-3-methyl-3H-isothiazole-5-carboxylic acid CAS Name: 2-(1-cyano-3-methylbut-2-enyl)-3-methyl-3H-isothiazole-5-carboxylic acid IUPAC Name: 2-(1-cyano-3-methylbut-2-enyl)-3-methyl-3H-1,2-thiazole-5-carboxylic acid Traditional Name: 2-(1-cyano-3-methyl-but-2-enyl)-3-methyl-4-isothiazoline-5-carboxylic acid Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(SN1C(C=C(C)C)C#N)C(=O)O

Isomeric SMILES

CC1C=C(SN1C(C=C(C)C)C#N)C(=O)O

InChI

InChI=1S/C11H14N2O2S/c1-7(2)4-9(6-12)13-8(3)5-10(16-13)11(14)15/h4-5,8-9H,1-3H3,(H,14,15)