dimethyl 2-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(tetrahydrofurfurylthiocarbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NCC2CCCO2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NCC2CCCO2

InChI

InChI=1S/C16H20N2O5S/c1-21-14(19)10-5-6-12(15(20)22-2)13(8-10)18-16(24)17-9-11-4-3-7-23-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,17,18,24)