methyl 5-cyano-2-methyl-3-oxidanylidene-1,2-thiazole-4-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-3-oxidanylidene-1,2-thiazole-4-carboxylate Openeye Name: methyl 5-cyano-2-methyl-3-oxo-isothiazole-4-carboxylate CAS Name: 5-cyano-2-methyl-3-oxo-4-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-3-oxo-1,2-thiazole-4-carboxylate Traditional Name: 5-cyano-3-keto-2-methyl-4-isothiazoline-4-carboxylic acid methyl ester Formula: C7H6N2O3S MolecularWeight: 198.19914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(S1)C#N)C(=O)OC

Isomeric SMILES

CN1C(=O)C(=C(S1)C#N)C(=O)OC

InChI

InChI=1S/C7H6N2O3S/c1-9-6(10)5(7(11)12-2)4(3-8)13-9/h1-2H3