[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)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-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-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-keto-2-mesidino-1-methyl-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C)C

InChI

InChI=1S/C23H23N3O4/c1-13-10-14(2)20(15(3)11-13)25-21(27)17(5)30-23(28)19-16(4)29-22(18(19)12-24)26-8-6-7-9-26/h6-11,17H,1-5H3,(H,25,27)/t17-/m0/s1