2-[2-(2-propan-2-ylsulfanylethyl)-1,3-benzothiazol-6-yl]ethanoate

Systemtic Name: 2-[2-(2-propan-2-ylsulfanylethyl)-1,3-benzothiazol-6-yl]ethanoate Openeye Name: 2-[2-(2-isopropylsulfanylethyl)-1,3-benzothiazol-6-yl]acetate CAS Name: 2-[2-[2-(propan-2-ylthio)ethyl]-1,3-benzothiazol-6-yl]acetate IUPAC Name: 2-[2-(2-propan-2-ylsulfanylethyl)-1,3-benzothiazol-6-yl]acetate Traditional Name: 2-[2-[2-(isopropylthio)ethyl]-1,3-benzothiazol-6-yl]acetate Formula: C14H16NO2S2- MolecularWeight: 294.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)SCCC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C14H17NO2S2/c1-9(2)18-6-5-13-15-11-4-3-10(8-14(16)17)7-12(11)19-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)/p-1