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

Systemtic Name: ethyl 3-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(3-fluorophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(3-fluorophenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(3-fluorophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H14FN3O5S MolecularWeight: 415.394963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H14FN3O5S/c1-2-28-18(25)13-6-12(8-15(9-13)23(26)27)17(24)22-19-21-16(10-29-19)11-4-3-5-14(20)7-11/h3-10H,2H2,1H3,(H,21,22,24)