2-hydroxyethylazanium; 9-methyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylate

Systemtic Name: 2-hydroxyethylazanium; 9-methyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylate Openeye Name: 2-hydroxyethylammonium; 9-methyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate CAS Name: 2-hydroxyethylammonium; 9-methyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate IUPAC Name: 2-hydroxyethylazanium; 9-methyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate Traditional Name: 2-hydroxyethylammonium; 4-keto-9-methyl-5H-thiochromeno[4,3-b]pyran-2-carboxylate Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=C2OC(=CC3=O)C(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=C2OC(=CC3=O)C(=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C14H10O4S.C2H7NO/c1-7-2-3-12-8(4-7)13-9(6-19-12)10(15)5-11(18-13)14(16)17;3-1-2-4/h2-5H,6H2,1H3,(H,16,17);4H,1-3H2