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

Systemtic Name: diethyl 2-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(5-ethyl-3-methoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(5-ethyl-3-methoxycarbonyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbomethoxy-5-ethyl-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)C(=O)OCC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)C(=O)OCC)C(=O)OC

InChI

InChI=1S/C21H24N2O6S2/c1-5-13-11-15(19(25)27-4)17(31-13)23-21(30)22-16-10-12(18(24)28-6-2)8-9-14(16)20(26)29-7-3/h8-11H,5-7H2,1-4H3,(H2,22,23,30)