[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C20H16FN3O5S MolecularWeight: 429.421543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H16FN3O5S/c1-11-6-7-14(9-16(11)21)19(26)29-12(2)18(25)23-20-22-17(10-30-20)13-4-3-5-15(8-13)24(27)28/h3-10,12H,1-2H3,(H,22,23,25)