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

Systemtic Name: propan-2-yl (4S)-2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C22H17ClFNO4S MolecularWeight: 445.891083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClFNO4S/c1-10(2)28-21(26)18-16(15-12(23)7-5-8-13(15)24)17-19(29-20(18)25)11-6-3-4-9-14(11)30-22(17)27/h3-10,16H,25H2,1-2H3/t16-/m1/s1