diethyl 2-[6-ethoxy-1-(3-fluorophenyl)carbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[6-ethoxy-1-(3-fluorophenyl)carbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[6-ethoxy-1-(3-fluorobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-ethoxy-1-[(3-fluorophenyl)-oxomethyl]-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[6-ethoxy-1-(3-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-ethoxy-1-(3-fluorobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C29H28FNO6S3 MolecularWeight: 601.729123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H28FNO6S3/c1-6-35-18-12-13-20-19(15-18)21(28-39-22(26(33)36-7-2)23(40-28)27(34)37-8-3)24(38)29(4,5)31(20)25(32)16-10-9-11-17(30)14-16/h9-15H,6-8H2,1-5H3