diethyl 2-[2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC

InChI

InChI=1S/C25H29NO5S3/c1-7-30-22(28)19-20(23(29)31-8-2)34-24(33-19)18-15-11-9-10-12-16(15)26(17(27)13-14(3)4)25(5,6)21(18)32/h9-12,14H,7-8,13H2,1-6H3