sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butanoate

Systemtic Name: sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butanoate Openeye Name: sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxo-butanoate CAS Name: sodium 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxy-4-oxobutanoate IUPAC Name: sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxobutanoate Traditional Name: sodium 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxy-4-keto-butyrate Formula: C14H14NNaO4S2 MolecularWeight: 347.38503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2S1.[Na+]

Isomeric SMILES

CCOC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2S1.[Na+]

InChI

InChI=1S/C14H15NO4S2.Na/c1-2-19-13(18)9(7-12(16)17)8-20-14-15-10-5-3-4-6-11(10)21-14;/h3-6,9H,2,7-8H2,1H3,(H,16,17);/q;+1/p-1