[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C#N)C

InChI

InChI=1S/C18H16N2O5/c1-10-8-15(21)24-11(2)16(10)18(23)25-12(3)17(22)20-14-7-5-4-6-13(14)9-19/h4-8,12H,1-3H3,(H,20,22)/t12-/m0/s1