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

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-4-(3-fluorophenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2-amino-4-(3-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(3-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2-amino-4-(3-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(3-fluorophenyl)-5-keto-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid 2-methoxyethyl ester Formula: C22H18FNO5S MolecularWeight: 427.445423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FNO5S/c1-27-9-10-28-21(25)18-16(12-5-4-6-13(23)11-12)17-19(29-20(18)24)14-7-2-3-8-15(14)30-22(17)26/h2-8,11,16H,9-10,24H2,1H3/t16-/m1/s1