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

Systemtic Name: diethyl 2-[1-(3-fluorophenyl)carbonyl-6-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(3-fluorophenyl)-oxomethyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C28H26FNO6S3 MolecularWeight: 587.702543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)F)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)F)S1)C(=O)OCC

InChI

InChI=1S/C28H26FNO6S3/c1-6-35-25(32)21-22(26(33)36-7-2)39-27(38-21)20-18-14-17(34-5)11-12-19(18)30(28(3,4)23(20)37)24(31)15-9-8-10-16(29)13-15/h8-14H,6-7H2,1-5H3