[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H16N4O4 MolecularWeight: 388.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H16N4O4/c1-13-18(16(12-23)20(28-13)25-9-5-6-10-25)21(27)29-14(2)19(26)24-17-8-4-3-7-15(17)11-22/h3-10,14H,1-2H3,(H,24,26)/t14-/m0/s1