diethyl 3-methyl-5-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)COC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)COC2=CC=CC=C2C

InChI

InChI=1S/C21H24N2O6S2/c1-5-27-19(25)16-13(4)17(20(26)28-6-2)31-18(16)23-21(30)22-15(24)11-29-14-10-8-7-9-12(14)3/h7-10H,5-6,11H2,1-4H3,(H2,22,23,24,30)