dimethyl 3-(4-chlorophenyl)-1,1-bis(oxidanylidene)-5-phenyl-2,3-dihydrothiopyran-4,4-dicarboxylate

Systemtic Name: dimethyl 3-(4-chlorophenyl)-1,1-bis(oxidanylidene)-5-phenyl-2,3-dihydrothiopyran-4,4-dicarboxylate Openeye Name: dimethyl 3-(4-chlorophenyl)-1,1-dioxo-5-phenyl-2,3-dihydrothiopyran-4,4-dicarboxylate CAS Name: 3-(4-chlorophenyl)-1,1-dioxo-5-phenyl-2,3-dihydrothiopyran-4,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-chlorophenyl)-1,1-dioxo-5-phenyl-2,3-dihydrothiopyran-4,4-dicarboxylate Traditional Name: 3-(4-chlorophenyl)-1,1-diketo-5-phenyl-2,3-dihydrothiopyran-4,4-dicarboxylic acid dimethyl ester Formula: C21H19ClO6S MolecularWeight: 434.88996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CS(=O)(=O)C=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1(C(CS(=O)(=O)C=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H19ClO6S/c1-27-19(23)21(20(24)28-2)17(14-6-4-3-5-7-14)12-29(25,26)13-18(21)15-8-10-16(22)11-9-15/h3-12,18H,13H2,1-2H3