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

Systemtic Name: ethyl (4S)-2-azanyl-4-(3-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H15ClN2O6S MolecularWeight: 458.8716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C21H15ClN2O6S/c1-2-29-20(25)17-15(10-7-8-13(24(27)28)12(22)9-10)16-18(30-19(17)23)11-5-3-4-6-14(11)31-21(16)26/h3-9,15H,2,23H2,1H3/t15-/m1/s1