diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-(1-oxopentyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2,6-trimethyl-3-thioxo-1-valeryl-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C26H31NO5S3 MolecularWeight: 533.72304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C2=C(C=C(C=C2)C)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

Isomeric SMILES

CCCCC(=O)N1C2=C(C=C(C=C2)C)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

InChI

InChI=1S/C26H31NO5S3/c1-7-10-11-18(28)27-17-13-12-15(4)14-16(17)19(22(33)26(27,5)6)25-34-20(23(29)31-8-2)21(35-25)24(30)32-9-3/h12-14H,7-11H2,1-6H3