[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C20H18FN3O5S MolecularWeight: 431.437423

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O5S/c1-28-9-8-22-18-7-6-16(24(26)27)10-17(18)20(25)29-11-15-12-30-19(23-15)13-2-4-14(21)5-3-13/h2-7,10,12,22H,8-9,11H2,1H3