ethyl (4S)-6-azanyl-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxo-ethyl)-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-(2-ethoxy-2-keto-ethyl)-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C([C@H](C(=C(O1)N)C#N)C2=CC=C(C=C2)C(C)C)C(=O)OCC

InChI

InChI=1S/C22H26N2O5/c1-5-27-18(25)11-17-20(22(26)28-6-2)19(16(12-23)21(24)29-17)15-9-7-14(8-10-15)13(3)4/h7-10,13,19H,5-6,11,24H2,1-4H3/t19-/m0/s1