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

Systemtic Name: diethyl 5-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H21ClN2O6S2 MolecularWeight: 484.97354

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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=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O6S2/c1-4-27-18(25)15-11(3)16(19(26)28-5-2)31-17(15)23-20(30)22-14(24)10-29-13-8-6-12(21)7-9-13/h6-9H,4-5,10H2,1-3H3,(H2,22,23,24,30)