sodium (6-ethoxy-1,3-benzothiazol-2-yl)-(3-oxidanylidenebutanoyl)azanide

Systemtic Name: sodium (6-ethoxy-1,3-benzothiazol-2-yl)-(3-oxidanylidenebutanoyl)azanide Openeye Name: sodium (6-ethoxy-1,3-benzothiazol-2-yl)-(3-oxobutanoyl)azanide CAS Name: sodium 1,3-dioxobutyl-(6-ethoxy-1,3-benzothiazol-2-yl)azanide IUPAC Name: sodium (6-ethoxy-1,3-benzothiazol-2-yl)-(3-oxobutanoyl)azanide Traditional Name: sodium acetoacetyl-(6-ethoxy-1,3-benzothiazol-2-yl)azanide Formula: C13H13N2NaO3S MolecularWeight: 300.30869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)[N-]C(=O)CC(=O)C.[Na+]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)[N-]C(=O)CC(=O)C.[Na+]

InChI

InChI=1S/C13H14N2O3S.Na/c1-3-18-9-4-5-10-11(7-9)19-13(14-10)15-12(17)6-8(2)16;/h4-5,7H,3,6H2,1-2H3,(H,14,15,17);/q;+1/p-1