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

Systemtic Name: diethyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H20Br2N2O6S2 MolecularWeight: 608.3206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

InChI

InChI=1S/C20H20Br2N2O6S2/c1-5-29-18(26)13-9(3)15(19(27)30-6-2)32-17(13)24-20(31)23-16(25)11-7-10(21)8-12(22)14(11)28-4/h7-8H,5-6H2,1-4H3,(H2,23,24,25,31)