sodium 6-methyl-2-oxidanylidene-3-[2-(pyridin-2-ylmethyl)-2H-1,4-benzothiazin-3-yl]pyran-4-olate

Systemtic Name: sodium 6-methyl-2-oxidanylidene-3-[2-(pyridin-2-ylmethyl)-2H-1,4-benzothiazin-3-yl]pyran-4-olate Openeye Name: sodium 6-methyl-2-oxo-3-[2-(2-pyridylmethyl)-2H-1,4-benzothiazin-3-yl]pyran-4-olate CAS Name: sodium 6-methyl-2-oxo-3-[2-(2-pyridinylmethyl)-2H-1,4-benzothiazin-3-yl]-4-pyranolate IUPAC Name: sodium 6-methyl-2-oxo-3-[2-(pyridin-2-ylmethyl)-2H-1,4-benzothiazin-3-yl]pyran-4-olate Traditional Name: sodium 2-keto-6-methyl-3-[2-(2-pyridylmethyl)-2H-1,4-benzothiazin-3-yl]pyran-4-olate Formula: C20H15N2NaO3S MolecularWeight: 386.39947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)C2=NC3=CC=CC=C3SC2CC4=CC=CC=N4)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=O)O1)C2=NC3=CC=CC=C3SC2CC4=CC=CC=N4)[O-].[Na+]

InChI

InChI=1S/C20H16N2O3S.Na/c1-12-10-15(23)18(20(24)25-12)19-17(11-13-6-4-5-9-21-13)26-16-8-3-2-7-14(16)22-19;/h2-10,17,23H,11H2,1H3;/q;+1/p-1