dimethyl 5-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(tetrahydrofurfurylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-21-14(19)10-6-11(15(20)22-2)8-12(7-10)18-16(24)17-9-13-4-3-5-23-13/h6-8,13H,3-5,9H2,1-2H3,(H2,17,18,24)