3-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-butanoate

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-butanoate Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-butanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-ethylbutanoate IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-ethylbutanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-ethyl-butyrate Formula: C13H14NO2S2- MolecularWeight: 280.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)SC1=NC2=CC=CC=C2S1)C(=O)[O-]

Isomeric SMILES

CCC(C(C)SC1=NC2=CC=CC=C2S1)C(=O)[O-]

InChI

InChI=1S/C13H15NO2S2/c1-3-9(12(15)16)8(2)17-13-14-10-6-4-5-7-11(10)18-13/h4-9H,3H2,1-2H3,(H,15,16)/p-1