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

Systemtic Name: sodium 3-(1,3-benzothiazol-2-yl)-2-ethanoylsulfanyl-propanoate Openeye Name: sodium 2-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoate CAS Name: sodium 2-(acetylthio)-3-(1,3-benzothiazol-2-yl)propanoate IUPAC Name: sodium 2-acetylsulfanyl-3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: sodium 2-(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(CC1=NC2=CC=CC=C2S1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)SC(CC1=NC2=CC=CC=C2S1)C(=O)[O-].[Na+]

InChI

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