ethyl 2-(1,3-dithian-2-ylidene)-2-[6-fluoranyl-2-(4-nitrophenyl)quinolin-4-yl]ethanoate

Systemtic Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[6-fluoranyl-2-(4-nitrophenyl)quinolin-4-yl]ethanoate Openeye Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[6-fluoro-2-(4-nitrophenyl)-4-quinolyl]acetate CAS Name: 2-(1,3-dithian-2-ylidene)-2-[6-fluoro-2-(4-nitrophenyl)-4-quinolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dithian-2-ylidene)-2-[6-fluoro-2-(4-nitrophenyl)quinolin-4-yl]acetate Traditional Name: 2-(1,3-dithian-2-ylidene)-2-[6-fluoro-2-(4-nitrophenyl)-4-quinolyl]acetic acid ethyl ester Formula: C23H19FN2O4S2 MolecularWeight: 470.536363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1SCCCS1)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=C1SCCCS1)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19FN2O4S2/c1-2-30-22(27)21(23-31-10-3-11-32-23)18-13-20(14-4-7-16(8-5-14)26(28)29)25-19-9-6-15(24)12-17(18)19/h4-9,12-13H,2-3,10-11H2,1H3