ethyl 2-(1,3-dithian-2-ylidene)-2-[2-(4-fluorophenyl)quinolin-4-yl]ethanoate

Systemtic Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[2-(4-fluorophenyl)quinolin-4-yl]ethanoate Openeye Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[2-(4-fluorophenyl)-4-quinolyl]acetate CAS Name: 2-(1,3-dithian-2-ylidene)-2-[2-(4-fluorophenyl)-4-quinolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[2-(4-fluorophenyl)quinolin-4-yl]acetate Traditional Name: 2-(1,3-dithian-2-ylidene)-2-[2-(4-fluorophenyl)-4-quinolyl]acetic acid ethyl ester Formula: C23H20FNO2S2 MolecularWeight: 425.538803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1SCCCS1)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C(=C1SCCCS1)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FNO2S2/c1-2-27-22(26)21(23-28-12-5-13-29-23)18-14-20(15-8-10-16(24)11-9-15)25-19-7-4-3-6-17(18)19/h3-4,6-11,14H,2,5,12-13H2,1H3