diethyl 2-[[cyclopropyl-(2-fluoranyl-4-nitro-3-thiomorpholin-4-yl-phenyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[cyclopropyl-(2-fluoranyl-4-nitro-3-thiomorpholin-4-yl-phenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(N-cyclopropyl-2-fluoro-4-nitro-3-thiomorpholino-anilino)methylene]propanedioate CAS Name: 2-[(N-cyclopropyl-2-fluoro-4-nitro-3-thiomorpholin-4-ylanilino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(N-cyclopropyl-2-fluoro-4-nitro-3-thiomorpholin-4-ylanilino)methylidene]propanedioate Traditional Name: 2-[(N-cyclopropyl-2-fluoro-4-nitro-3-thiomorpholino-anilino)methylene]malonic acid diethyl ester Formula: C21H26FN3O6S MolecularWeight: 467.511043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C1CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCSCC3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(C1CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCSCC3)F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O6S/c1-3-30-20(26)15(21(27)31-4-2)13-24(14-5-6-14)16-7-8-17(25(28)29)19(18(16)22)23-9-11-32-12-10-23/h7-8,13-14H,3-6,9-12H2,1-2H3