(E)-5-(1,3-benzothiazol-2-yl)-6-(4-methylsulfanylphenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methylsulfanylphenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methylsulfanylphenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-[4-(methylthio)phenyl]-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methylsulfanylphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-[4-(methylthio)phenyl]hex-5-enoate Formula: C20H18NO2S2- MolecularWeight: 368.49242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\CCCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO2S2/c1-24-16-11-9-14(10-12-16)13-15(5-4-8-19(22)23)20-21-17-6-2-3-7-18(17)25-20/h2-3,6-7,9-13H,4-5,8H2,1H3,(H,22,23)/p-1/b15-13+