dimethyl 5-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbomethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H20N2O6S2/c1-26-17(23)10-7-11(18(24)27-2)9-12(8-10)21-20(29)22-16-15(19(25)28-3)13-5-4-6-14(13)30-16/h7-9H,4-6H2,1-3H3,(H2,21,22,29)