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

Systemtic Name: diethyl 2-[[[3-(1,3-benzothiazol-2-yl)-4-fluoranyl-phenyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[3-(1,3-benzothiazol-2-yl)-4-fluoro-anilino]methylene]propanedioate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-fluoroanilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(1,3-benzothiazol-2-yl)-4-fluoroanilino]methylidene]propanedioate Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-fluoro-anilino]methylene]malonic acid diethyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=C(C=C1)F)C2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC(=C(C=C1)F)C2=NC3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C21H19FN2O4S/c1-3-27-20(25)15(21(26)28-4-2)12-23-13-9-10-16(22)14(11-13)19-24-17-7-5-6-8-18(17)29-19/h5-12,23H,3-4H2,1-2H3