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

Systemtic Name: diethyl 5-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23BrN2O6S2 MolecularWeight: 543.45112

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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(=CC(=C2OC)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O6S2/c1-6-29-19(26)14-11(4)16(20(27)30-7-2)32-18(14)24-21(31)23-17(25)13-9-12(22)8-10(3)15(13)28-5/h8-9H,6-7H2,1-5H3,(H2,23,24,25,31)