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

Systemtic Name: methyl (4S)-6-azanyl-4-(3-bromophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C16H15BrN2O4 MolecularWeight: 379.2053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)Br)C(=O)OC

Isomeric SMILES

COCC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=CC=C2)Br)C(=O)OC

InChI

InChI=1S/C16H15BrN2O4/c1-21-8-12-14(16(20)22-2)13(11(7-18)15(19)23-12)9-4-3-5-10(17)6-9/h3-6,13H,8,19H2,1-2H3/t13-/m0/s1