ethyl (4S)-6-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-(3-bromo-4-methoxy-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(3-bromo-4-methoxyphenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-(3-bromo-4-methoxyphenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(3-bromo-4-methoxy-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H19BrN2O5 MolecularWeight: 423.25786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O5/c1-4-25-18(22)16-14(9-23-2)26-17(21)11(8-20)15(16)10-5-6-13(24-3)12(19)7-10/h5-7,15H,4,9,21H2,1-3H3/t15-/m0/s1