dimethyl 5-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(2-furylmethylsulfanyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(2-furanylmethylthio)ethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(2-furfurylthio)ethylcarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCSCC2=CC=CO2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCSCC2=CC=CO2)C(=O)OC

InChI

InChI=1S/C18H20N2O6S/c1-24-16(21)12-8-13(17(22)25-2)10-14(9-12)20-18(23)19-5-7-27-11-15-4-3-6-26-15/h3-4,6,8-10H,5,7,11H2,1-2H3,(H2,19,20,23)