2-methoxyethyl (4S)-6-azanyl-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-6-azanyl-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-methoxyethyl ester Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=CC=C2)Br)C(=O)OCCOC

InChI

InChI=1S/C17H17BrN2O4/c1-10-14(17(21)23-7-6-22-2)15(13(9-19)16(20)24-10)11-4-3-5-12(18)8-11/h3-5,8,15H,6-7,20H2,1-2H3/t15-/m0/s1