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

Systemtic Name: propan-2-yl 4-[(5-nitrofuran-2-yl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: isopropyl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 2-hydroxy-4-[[[[(5-nitro-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-hydroxy-4-[(5-nitrofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-hydroxy-4-[(5-nitro-2-furoyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S/c1-8(2)25-15(22)10-4-3-9(7-11(10)20)17-16(27)18-14(21)12-5-6-13(26-12)19(23)24/h3-8,20H,1-2H3,(H2,17,18,21,27)