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

Systemtic Name: diethyl 2-[1-(3-fluorophenyl)carbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[1-(3-fluorobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(3-fluorophenyl)-oxomethyl]-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[1-(3-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(3-fluorobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C27H24FNO5S3 MolecularWeight: 557.676563

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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)F)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)F)S1)C(=O)OCC

InChI

InChI=1S/C27H24FNO5S3/c1-5-33-24(31)20-21(25(32)34-6-2)37-26(36-20)19-17-12-7-8-13-18(17)29(27(3,4)22(19)35)23(30)15-10-9-11-16(28)14-15/h7-14H,5-6H2,1-4H3