[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C19H15FN2O5S MolecularWeight: 402.396203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H15FN2O5S/c1-12-8-13(2-7-17(12)22(24)25)19(23)27-9-15-11-28-18(21-15)10-26-16-5-3-14(20)4-6-16/h2-8,11H,9-10H2,1H3