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

Systemtic Name: 9-butan-2-yl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylate; 2-hydroxyethylazanium Openeye Name: 2-hydroxyethylammonium; 4-oxo-9-sec-butyl-5H-thiochromeno[4,3-b]pyran-2-carboxylate CAS Name: 9-butan-2-yl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate; 2-hydroxyethylammonium IUPAC Name: 9-butan-2-yl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate; 2-hydroxyethylazanium Traditional Name: 2-hydroxyethylammonium; 4-keto-9-sec-butyl-5H-thiochromeno[4,3-b]pyran-2-carboxylate Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S.C2H7NO/c1-3-9(2)10-4-5-15-11(6-10)16-12(8-22-15)13(18)7-14(21-16)17(19)20;3-1-2-4/h4-7,9H,3,8H2,1-2H3,(H,19,20);4H,1-3H2