ethyl (4S)-6-azanyl-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C=C(C=C2)C)C)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=C(C=C(C=C2)C)C)C#N)N)C

InChI

InChI=1S/C18H20N2O3/c1-5-22-18(21)15-12(4)23-17(20)14(9-19)16(15)13-7-6-10(2)8-11(13)3/h6-8,16H,5,20H2,1-4H3/t16-/m0/s1