[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate CAS Name: 5-methyl-2-imidazo[1,2-a]pyridinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 5-methylimidazo[1,2-a]pyridine-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CN12)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC2=NC(=CN12)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C15H14N4O3/c1-9-4-3-5-14-18-12(7-19(9)14)15(21)22-8-13(20)11(6-16)10(2)17/h3-5,7,11,17H,8H2,1-2H3/t11-/m1/s1