diethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)C(=O)OCC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)C(=O)OCC)C

InChI

InChI=1S/C22H26N2O6S2/c1-6-14-12(4)32-18(17(14)21(27)28-5)24-22(31)23-16-11-13(19(25)29-7-2)9-10-15(16)20(26)30-8-3/h9-11H,6-8H2,1-5H3,(H2,23,24,31)