ethyl 2-[1-(3-fluorophenyl)carbonyl-2,2,6-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-[1-(3-fluorophenyl)carbonyl-2,2,6-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[1-(3-fluorobenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[1-[(3-fluorophenyl)-oxomethyl]-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-[1-(3-fluorobenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C31H26FNO3S3 MolecularWeight: 575.736443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)F)S1)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)F)S1)C5=CC=CC=C5

InChI

InChI=1S/C31H26FNO3S3/c1-5-36-29(35)26-25(19-10-7-6-8-11-19)38-30(39-26)24-22-16-18(2)14-15-23(22)33(31(3,4)27(24)37)28(34)20-12-9-13-21(32)17-20/h6-17H,5H2,1-4H3