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

Systemtic Name: N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C20H19FN4O5S MolecularWeight: 446.452063

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H19FN4O5S/c1-29-8-7-22-16-5-4-13(25(27)28)10-14(16)19(26)24-20-23-17(11-31-20)12-3-6-18(30-2)15(21)9-12/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24,26)