2-methoxyethyl 4-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(2-fluoro-5-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(2-fluoro-5-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-fluoro-5-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C14H16FN3O6S MolecularWeight: 373.356743

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C14H16FN3O6S/c1-23-6-7-24-13(20)5-4-12(19)17-14(25)16-11-8-9(18(21)22)2-3-10(11)15/h2-3,8H,4-7H2,1H3,(H2,16,17,19,25)