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

Systemtic Name: methyl (4S)-2-azanyl-4-(3-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: methyl (4S)-2-amino-4-(3-chloro-4-nitro-phenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(3-chloro-4-nitro-phenyl)-5-keto-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid methyl ester Formula: C20H13ClN2O6S MolecularWeight: 444.84502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)[N+](=O)[O-])Cl)C(=O)SC4=CC=CC=C42)N

Isomeric SMILES

COC(=O)C1=C(OC2=C([C@H]1C3=CC(=C(C=C3)[N+](=O)[O-])Cl)C(=O)SC4=CC=CC=C42)N

InChI

InChI=1S/C20H13ClN2O6S/c1-28-19(24)16-14(9-6-7-12(23(26)27)11(21)8-9)15-17(29-18(16)22)10-4-2-3-5-13(10)30-20(15)25/h2-8,14H,22H2,1H3/t14-/m1/s1