2-methoxyethyl (4S)-2-azanyl-4-(4-bromophenyl)-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-4-(4-bromophenyl)-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2-amino-4-(4-bromophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(4-bromophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2-amino-4-(4-bromophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-bromophenyl)-8-keto-6-methylol-4H-pyrano[3,2-b]pyran-3-carboxylic acid 2-methoxyethyl ester Formula: C19H18BrNO7 MolecularWeight: 452.25272

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Br)OC(=CC2=O)CO)N

Isomeric SMILES

COCCOC(=O)C1=C(OC2=C([C@H]1C3=CC=C(C=C3)Br)OC(=CC2=O)CO)N

InChI

InChI=1S/C19H18BrNO7/c1-25-6-7-26-19(24)15-14(10-2-4-11(20)5-3-10)17-16(28-18(15)21)13(23)8-12(9-22)27-17/h2-5,8,14,22H,6-7,9,21H2,1H3/t14-/m0/s1