diethyl 5-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H21BrN2O6S2 MolecularWeight: 565.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O6S2/c1-4-30-21(28)17-12(3)18(22(29)31-5-2)34-20(17)26-23(33)25-19(27)16-11-10-15(32-16)13-6-8-14(24)9-7-13/h6-11H,4-5H2,1-3H3,(H2,25,26,27,33)