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

Systemtic Name: methyl 3-[butyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[butyl-[4-(4-fluorophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[butyl-[4-(4-fluorophenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[butyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[butyl-[4-(4-fluorophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H20FN3O5S MolecularWeight: 457.474703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC(=CS1)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCN(C1=NC(=CS1)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H20FN3O5S/c1-3-4-9-25(22-24-19(13-32-22)14-5-7-17(23)8-6-14)20(27)15-10-16(21(28)31-2)12-18(11-15)26(29)30/h5-8,10-13H,3-4,9H2,1-2H3