ethyl (4S)-6-azanyl-4-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-[5-[(2-bromophenoxy)methyl]-2-furyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[5-[(2-bromophenoxy)methyl]-2-furanyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-[5-[(2-bromophenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[5-[(2-bromophenoxy)methyl]-2-furyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)COC3=CC=CC=C3Br)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=C(O2)COC3=CC=CC=C3Br)C#N)N)C

InChI

InChI=1S/C21H19BrN2O5/c1-3-26-21(25)18-12(2)28-20(24)14(10-23)19(18)17-9-8-13(29-17)11-27-16-7-5-4-6-15(16)22/h4-9,19H,3,11,24H2,1-2H3/t19-/m1/s1