methyl 3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]-4-fluoro-benzoate CAS Name: 3-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]-4-fluorobenzoate Traditional Name: 3-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C17H14FN3O6S MolecularWeight: 407.372963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O6S/c1-27-17(24)10-2-4-11(18)12(6-10)20-15(22)8-28-14-5-3-9(16(19)23)7-13(14)21(25)26/h2-7H,8H2,1H3,(H2,19,23)(H,20,22)