ethyl 4-[(5-nitrofuran-2-yl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: ethyl 4-[(5-nitrofuran-2-yl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: ethyl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 2-hydroxy-4-[[[[(5-nitro-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-hydroxy-4-[(5-nitro-2-furoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H13N3O7S MolecularWeight: 379.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)[N+](=O)[O-])O

InChI

InChI=1S/C15H13N3O7S/c1-2-24-14(21)9-4-3-8(7-10(9)19)16-15(26)17-13(20)11-5-6-12(25-11)18(22)23/h3-7,19H,2H2,1H3,(H2,16,17,20,26)