diethyl 3-methyl-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H27N3O5S2 MolecularWeight: 441.56478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2CCCC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2CCCC2=O

InChI

InChI=1S/C19H27N3O5S2/c1-4-26-17(24)14-12(3)15(18(25)27-5-2)29-16(14)21-19(28)20-9-7-11-22-10-6-8-13(22)23/h4-11H2,1-3H3,(H2,20,21,28)