[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2,4-dimethylthiazole-5-carboxylate CAS Name: 2,4-dimethyl-5-thiazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-dimethylthiazole-5-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C12H13N3O3S/c1-6(14)9(4-13)10(16)5-18-12(17)11-7(2)15-8(3)19-11/h9,14H,5H2,1-3H3/t9-/m1/s1