methyl 5-methyl-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H21N3O3S2 MolecularWeight: 355.47554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCCN2CCCC2=O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCCN2CCCC2=O)C(=O)OC

InChI

InChI=1S/C15H21N3O3S2/c1-10-9-11(14(20)21-2)13(23-10)17-15(22)16-6-4-8-18-7-3-5-12(18)19/h9H,3-8H2,1-2H3,(H2,16,17,22)