[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H20O3S3 MolecularWeight: 404.566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H20O3S3/c1-24-17-9-7-14(8-10-17)18(21)13-23-19(22)15-3-5-16(6-4-15)20-25-11-2-12-26-20/h3-10,20H,2,11-13H2,1H3