4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxy-2-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H18FN3O5S/c1-3-29-18-10-16(24(26)27)15(9-17(18)28-2)19(25)23-20-22-11-14(30-20)8-12-4-6-13(21)7-5-12/h4-7,9-11H,3,8H2,1-2H3,(H,22,23,25)