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

Systemtic Name: ethyl 3-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(4-fluorophenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H16FN3O5S MolecularWeight: 429.421543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O5S/c1-3-29-19(26)14-8-13(9-16(10-14)24(27)28)18(25)23-20-22-17(11(2)30-20)12-4-6-15(21)7-5-12/h4-10H,3H2,1-2H3,(H,22,23,25)