ethyl (4S)-2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(2-chloro-6-fluoro-phenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(2-chloro-6-fluoro-phenyl)-5-keto-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid ethyl ester Formula: C21H15ClFNO4S MolecularWeight: 431.864503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC=C3Cl)F)C(=O)SC4=CC=CC=C42)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@H]1C3=C(C=CC=C3Cl)F)C(=O)SC4=CC=CC=C42)N

InChI

InChI=1S/C21H15ClFNO4S/c1-2-27-20(25)17-15(14-11(22)7-5-8-12(14)23)16-18(28-19(17)24)10-6-3-4-9-13(10)29-21(16)26/h3-9,15H,2,24H2,1H3/t15-/m1/s1