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

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C21H19FN4O7S MolecularWeight: 490.461563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O7S/c1-10(27)23-11-5-6-12(14(22)7-11)15-9-34-21(24-15)25-20(28)13-8-16(31-2)18(32-3)19(33-4)17(13)26(29)30/h5-9H,1-4H3,(H,23,27)(H,24,25,28)