(E)-3-(4-isothiocyanatophenyl)-2-methyl-prop-2-enoate

Systemtic Name: (E)-3-(4-isothiocyanatophenyl)-2-methyl-prop-2-enoate Openeye Name: (E)-3-(4-isothiocyanatophenyl)-2-methyl-prop-2-enoate CAS Name: (E)-3-(4-isothiocyanatophenyl)-2-methyl-2-propenoate IUPAC Name: (E)-3-(4-isothiocyanatophenyl)-2-methylprop-2-enoate Traditional Name: (E)-3-(4-isothiocyanatophenyl)-2-methyl-acrylate Formula: C11H8NO2S- MolecularWeight: 218.25172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)N=C=S)C(=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)N=C=S)/C(=O)[O-]

InChI

InChI=1S/C11H9NO2S/c1-8(11(13)14)6-9-2-4-10(5-3-9)12-7-15/h2-6H,1H3,(H,13,14)/p-1/b8-6+