diethyl 5-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H18BrClN2O5S2 MolecularWeight: 533.84362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN2O5S2/c1-4-27-17(25)13-9(3)14(18(26)28-5-2)30-16(13)23-19(29)22-15(24)11-8-10(20)6-7-12(11)21/h6-8H,4-5H2,1-3H3,(H2,22,23,24,29)