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

Systemtic Name: ethyl (4S)-6-azanyl-4-[2,6-bis(chloranyl)phenyl]-5-cyano-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC=C2Cl)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](C(=C(O1)N)C#N)C2=C(C=CC=C2Cl)Cl)C(=O)OCC

InChI

InChI=1S/C18H18Cl2N2O3/c1-3-6-13-16(18(23)24-4-2)14(10(9-21)17(22)25-13)15-11(19)7-5-8-12(15)20/h5,7-8,14H,3-4,6,22H2,1-2H3/t14-/m1/s1