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

Systemtic Name: ethyl (4S)-2-azanyl-4-(3-fluorophenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H16FNO4S MolecularWeight: 397.419443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FNO4S/c1-2-26-20(24)17-15(11-6-5-7-12(22)10-11)16-18(27-19(17)23)13-8-3-4-9-14(13)28-21(16)25/h3-10,15H,2,23H2,1H3/t15-/m1/s1