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

Systemtic Name: methyl (4S)-2-azanyl-4-(4-nitrophenyl)-5-oxidanylidene-4H-thiochromeno[4,3-b]pyran-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H14N2O6S/c1-27-19(23)16-14(10-6-8-11(9-7-10)22(25)26)15-17(28-18(16)21)12-4-2-3-5-13(12)29-20(15)24/h2-9,14H,21H2,1H3/t14-/m1/s1