diethyl 5-methyl-4,8-bis(oxidanylidene)-3-propyl-thieno[3,2-f][1]benzothiole-2,6-dicarboxylate

Systemtic Name: diethyl 5-methyl-4,8-bis(oxidanylidene)-3-propyl-thieno[3,2-f][1]benzothiole-2,6-dicarboxylate Openeye Name: diethyl 5-methyl-4,8-dioxo-3-propyl-thieno[3,2-f]benzothiophene-2,6-dicarboxylate CAS Name: 5-methyl-4,8-dioxo-3-propylthieno[3,2-f][1]benzothiole-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-methyl-4,8-dioxo-3-propylthieno[3,2-f][1]benzothiole-2,6-dicarboxylate Traditional Name: 4,8-diketo-5-methyl-3-propyl-thieno[3,2-f]benzothiophene-2,6-dicarboxylic acid diethyl ester Formula: C20H20O6S2 MolecularWeight: 420.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC2=C1C(=O)C3=C(C2=O)SC(=C3C)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C(SC2=C1C(=O)C3=C(C2=O)SC(=C3C)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H20O6S2/c1-5-8-10-12-13(21)11-9(4)15(19(23)25-6-2)27-17(11)14(22)18(12)28-16(10)20(24)26-7-3/h5-8H2,1-4H3