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

Systemtic Name: ethyl (4S)-2-azanyl-4-(4-nitrophenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(4-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(4-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(4-nitrophenyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid ethyl ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16N2O6S/c1-2-28-20(24)17-15(11-7-9-12(10-8-11)23(26)27)16-18(29-19(17)22)13-5-3-4-6-14(13)30-21(16)25/h3-10,15H,2,22H2,1H3/t15-/m1/s1