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

Systemtic Name: methyl (4S)-2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H13ClFNO4S MolecularWeight: 417.837923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClFNO4S/c1-26-19(24)16-14(13-10(21)6-4-7-11(13)22)15-17(27-18(16)23)9-5-2-3-8-12(9)28-20(15)25/h2-8,14H,23H2,1H3/t14-/m1/s1