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

Systemtic Name: diethyl 5-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-chloro-3-methyl-phenoxy)acetyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23ClN2O6S2 MolecularWeight: 499.00012

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S2/c1-5-28-19(26)16-12(4)17(20(27)29-6-2)32-18(16)24-21(31)23-15(25)10-30-13-7-8-14(22)11(3)9-13/h7-9H,5-6,10H2,1-4H3,(H2,23,24,25,31)