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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C3=CC=CC=C3S1)OC(=CC2=O)C(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

CC1C2=C(C3=CC=CC=C3S1)OC(=CC2=O)C(=O)[O-].C(CO)[NH3+]

InChI

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