ethyl (4S)-6-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2Br)OCO3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC3=C(C=C2Br)OCO3)C#N)N)C

InChI

InChI=1S/C17H15BrN2O5/c1-3-22-17(21)14-8(2)25-16(20)10(6-19)15(14)9-4-12-13(5-11(9)18)24-7-23-12/h4-5,15H,3,7,20H2,1-2H3/t15-/m0/s1