[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylfuran-3-carboxylate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylfuran-3-carboxylate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C16H14N2O4/c1-10-13(7-8-21-10)16(20)22-11(2)15(19)18-14-6-4-3-5-12(14)9-17/h3-8,11H,1-2H3,(H,18,19)/t11-/m0/s1