diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,7-trimethyl-1-(1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-butyryl-2,2,7-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C25H29NO5S3 MolecularWeight: 519.69646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5S3/c1-7-10-17(27)26-16-13-14(4)11-12-15(16)18(21(32)25(26,5)6)24-33-19(22(28)30-8-2)20(34-24)23(29)31-9-3/h11-13H,7-10H2,1-6H3