diethyl 2-[[[4-fluoranyl-3-(2-methyl-1,3-dithian-2-yl)phenyl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[4-fluoranyl-3-(2-methyl-1,3-dithian-2-yl)phenyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[4-fluoro-3-(2-methyl-1,3-dithian-2-yl)anilino]methylene]propanedioate CAS Name: 2-[[4-fluoro-3-(2-methyl-1,3-dithian-2-yl)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-fluoro-3-(2-methyl-1,3-dithian-2-yl)anilino]methylidene]propanedioate Traditional Name: 2-[[4-fluoro-3-(2-methyl-1,3-dithian-2-yl)anilino]methylene]malonic acid diethyl ester Formula: C19H24FNO4S2 MolecularWeight: 413.526563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=C(C=C1)F)C2(SCCCS2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC(=C(C=C1)F)C2(SCCCS2)C)C(=O)OCC

InChI

InChI=1S/C19H24FNO4S2/c1-4-24-17(22)14(18(23)25-5-2)12-21-13-7-8-16(20)15(11-13)19(3)26-9-6-10-27-19/h7-8,11-12,21H,4-6,9-10H2,1-3H3