dimethyl 5-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-bromofuran-2-carbonyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-bromofuran-2-carbonyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-bromo-2-furoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H13BrN2O6S MolecularWeight: 441.25322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C(=O)OC

InChI

InChI=1S/C16H13BrN2O6S/c1-23-14(21)8-5-9(15(22)24-2)7-10(6-8)18-16(26)19-13(20)11-3-4-12(17)25-11/h3-7H,1-2H3,(H2,18,19,20,26)