ethyl (4S)-6-azanyl-4-[2,6-bis(chloranyl)phenyl]-5-cyano-2-phenyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-[2,6-bis(chloranyl)phenyl]-5-cyano-2-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-phenyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-phenyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H16Cl2N2O3 MolecularWeight: 415.26934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC=C2Cl)Cl)C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=C(C=CC=C2Cl)Cl)C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H16Cl2N2O3/c1-2-27-21(26)18-16(17-14(22)9-6-10-15(17)23)13(11-24)20(25)28-19(18)12-7-4-3-5-8-12/h3-10,16H,2,25H2,1H3/t16-/m1/s1