dimethyl 5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCCN2CCCC2=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCCN2CCCC2=O)C(=O)OC

InChI

InChI=1S/C18H23N3O5S/c1-25-16(23)12-9-13(17(24)26-2)11-14(10-12)20-18(27)19-6-4-8-21-7-3-5-15(21)22/h9-11H,3-8H2,1-2H3,(H2,19,20,27)