dimethyl 2-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(E)-cinnamyl]-2-phenyl-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(E)-cinnamyl]-2-phenyl-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C22H20O4S2 MolecularWeight: 412.5218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(S1)(CC=CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(S1)(C/C=C/C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20O4S2/c1-25-20(23)18-19(21(24)26-2)28-22(27-18,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,15H2,1-2H3/b12-9+