dimethyl 5-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CS2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2)C(=O)OC

InChI

InChI=1S/C18H16N2O5S2/c1-24-16(22)11-8-12(17(23)25-2)10-13(9-11)19-18(26)20-15(21)6-5-14-4-3-7-27-14/h3-10H,1-2H3,(H2,19,20,21,26)/b6-5+