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

Systemtic Name: diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,7-trimethyl-1-(3-methyl-1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-isovaleryl-2,2,7-trimethyl-3-thioxo-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:

CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC

InChI

InChI=1S/C26H31NO5S3/c1-8-31-23(29)20-21(24(30)32-9-2)35-25(34-20)19-16-11-10-15(5)13-17(16)27(18(28)12-14(3)4)26(6,7)22(19)33/h10-11,13-14H,8-9,12H2,1-7H3