sodium 3-(1,3-benzothiazol-2-yl)-3-ethanoylsulfanyl-propanoate

Systemtic Name: sodium 3-(1,3-benzothiazol-2-yl)-3-ethanoylsulfanyl-propanoate Openeye Name: sodium 3-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoate CAS Name: sodium 3-(acetylthio)-3-(1,3-benzothiazol-2-yl)propanoate IUPAC Name: sodium 3-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: sodium 3-(acetylthio)-3-(1,3-benzothiazol-2-yl)propionate Formula: C12H10NNaO3S2 MolecularWeight: 303.33247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)[O-])C1=NC2=CC=CC=C2S1.[Na+]

Isomeric SMILES

CC(=O)SC(CC(=O)[O-])C1=NC2=CC=CC=C2S1.[Na+]

InChI

InChI=1S/C12H11NO3S2.Na/c1-7(14)17-10(6-11(15)16)12-13-8-4-2-3-5-9(8)18-12;/h2-5,10H,6H2,1H3,(H,15,16);/q;+1/p-1