2-methoxyethyl (4S)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4H-thiochromeno[4,3-b]pyran-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-5-oxidanylidene-4-pyridin-3-yl-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2-amino-5-oxo-4-(3-pyridyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-5-oxo-4-(3-pyridinyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2-amino-5-oxo-4-pyridin-3-yl-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(3-pyridyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid 2-methoxyethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)SC4=CC=CC=C42)N

Isomeric SMILES

COCCOC(=O)C1=C(OC2=C([C@H]1C3=CN=CC=C3)C(=O)SC4=CC=CC=C42)N

InChI

InChI=1S/C21H18N2O5S/c1-26-9-10-27-20(24)17-15(12-5-4-8-23-11-12)16-18(28-19(17)22)13-6-2-3-7-14(13)29-21(16)25/h2-8,11,15H,9-10,22H2,1H3/t15-/m1/s1