N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C21H20FN5O5S MolecularWeight: 473.477403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC)F

InChI

InChI=1S/C21H20FN5O5S/c1-12(28)24-13-3-5-15(17(22)9-13)19-11-33-21(25-19)26-20(29)16-10-14(27(30)31)4-6-18(16)23-7-8-32-2/h3-6,9-11,23H,7-8H2,1-2H3,(H,24,28)(H,25,26,29)