ethyl (4S)-6-azanyl-5-cyano-4-(3-iodanylphenyl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-4-(3-iodanylphenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C16H15IN2O3 MolecularWeight: 410.20637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15IN2O3/c1-3-21-16(20)13-9(2)22-15(19)12(8-18)14(13)10-5-4-6-11(17)7-10/h4-7,14H,3,19H2,1-2H3/t14-/m0/s1