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

Systemtic Name: propan-2-yl (4S)-2-azanyl-4-(3-nitrophenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: isopropyl (4S)-2-amino-4-(3-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(3-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-2-amino-4-(3-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(3-nitrophenyl)-4H-thiochromeno[4,3-b]pyran-3-carboxylic acid isopropyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6S/c1-11(2)29-21(25)18-16(12-6-5-7-13(10-12)24(27)28)17-19(30-20(18)23)14-8-3-4-9-15(14)31-22(17)26/h3-11,16H,23H2,1-2H3/t16-/m1/s1