dimethyl 5-[2-(2-methoxyphenoxy)ethylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2-methoxyphenoxy)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(2-methoxyphenoxy)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(2-methoxyphenoxy)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(2-methoxyphenoxy)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(2-methoxyphenoxy)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1OCCNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22N2O6S/c1-25-16-6-4-5-7-17(16)28-9-8-21-20(29)22-15-11-13(18(23)26-2)10-14(12-15)19(24)27-3/h4-7,10-12H,8-9H2,1-3H3,(H2,21,22,29)