3-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)but-2-en-1-one

Systemtic Name: 3-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)but-2-en-1-one Openeye Name: 3-methyl-1-[2-(3-thienyl)pyrrolidin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[2-(3-thiophenyl)-1-pyrrolidinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)but-2-en-1-one Traditional Name: 3-methyl-1-[2-(3-thienyl)pyrrolidino]but-2-en-1-one Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCC1C2=CSC=C2)C

Isomeric SMILES

CC(=CC(=O)N1CCCC1C2=CSC=C2)C

InChI

InChI=1S/C13H17NOS/c1-10(2)8-13(15)14-6-3-4-12(14)11-5-7-16-9-11/h5,7-9,12H,3-4,6H2,1-2H3