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

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C21H19FN4O6S MolecularWeight: 474.462163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)NC(=O)C)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)NC(=O)C)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H19FN4O6S/c1-4-32-19-8-14(17(26(29)30)9-18(19)31-3)20(28)25-21-24-16(10-33-21)13-6-5-12(7-15(13)22)23-11(2)27/h5-10H,4H2,1-3H3,(H,23,27)(H,24,25,28)