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

Systemtic Name: dimethyl 3-methyl-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2CCCC2=O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2CCCC2=O)C(=O)OC

InChI

InChI=1S/C17H23N3O5S2/c1-10-12(15(22)24-2)14(27-13(10)16(23)25-3)19-17(26)18-7-5-9-20-8-4-6-11(20)21/h4-9H2,1-3H3,(H2,18,19,26)