2-methoxyethyl (4S)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2-amino-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2-amino-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(3-pyridyl)-4,6,7,8-tetrahydrochromene-3-carboxylic acid 2-methoxyethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)CCC2)N

Isomeric SMILES

COCCOC(=O)C1=C(OC2=C([C@@H]1C3=CN=CC=C3)C(=O)CCC2)N

InChI

InChI=1S/C18H20N2O5/c1-23-8-9-24-18(22)16-14(11-4-3-7-20-10-11)15-12(21)5-2-6-13(15)25-17(16)19/h3-4,7,10,14H,2,5-6,8-9,19H2,1H3/t14-/m0/s1