[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 2-(2-morpholino-2-oxo-ethyl)sulfanylacetate CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]acetic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]acetic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C16H18FN3O7S MolecularWeight: 415.393423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CSCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN3O7S/c17-11-1-2-12(13(7-11)20(24)25)18-14(21)8-27-16(23)10-28-9-15(22)19-3-5-26-6-4-19/h1-2,7H,3-6,8-10H2,(H,18,21)