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

Systemtic Name: diethyl 2-[2,2-dimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-benzoyl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C27H25NO5S3 MolecularWeight: 539.6861

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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)C4=CC=CC=C4)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C(=O)OCC

InChI

InChI=1S/C27H25NO5S3/c1-5-32-24(30)20-21(25(31)33-6-2)36-26(35-20)19-17-14-10-11-15-18(17)28(27(3,4)22(19)34)23(29)16-12-8-7-9-13-16/h7-15H,5-6H2,1-4H3