dimethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H14Cl2N2O5S2 MolecularWeight: 497.37156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C20H14Cl2N2O5S2/c1-28-18(26)9-5-10(19(27)29-2)7-12(6-9)23-20(30)24-17(25)16-15(22)13-4-3-11(21)8-14(13)31-16/h3-8H,1-2H3,(H2,23,24,25,30)