N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-[2-(3-fluorophenyl)thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-[2-(3-fluorophenyl)thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C20H18FN3O5S MolecularWeight: 431.437423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCC2=CSC(=N2)C3=CC(=CC=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCC2=CSC(=N2)C3=CC(=CC=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18FN3O5S/c1-28-17-9-15(16(24(26)27)10-18(17)29-2)19(25)22-7-6-14-11-30-20(23-14)12-4-3-5-13(21)8-12/h3-5,8-11H,6-7H2,1-2H3,(H,22,25)