3-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]carbonyl-6-(trifluoromethyl)-2,3-dihydroinden-1-one

Systemtic Name: 3-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]carbonyl-6-(trifluoromethyl)-2,3-dihydroinden-1-one Openeye Name: 3-[3-(pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]-6-(trifluoromethyl)indan-1-one CAS Name: 3-[oxo-[3-(1-pyrrolidinylmethyl)-4-thiomorpholinyl]methyl]-6-(trifluoromethyl)-2,3-dihydroinden-1-one IUPAC Name: 3-[3-(pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]-6-(trifluoromethyl)-2,3-dihydroinden-1-one Traditional Name: 3-[3-(pyrrolidinomethyl)thiomorpholine-4-carbonyl]-6-(trifluoromethyl)indan-1-one Formula: C20H23F3N2O2S MolecularWeight: 412.46903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CSCCN2C(=O)C3CC(=O)C4=C3C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CC2CSCCN2C(=O)C3CC(=O)C4=C3C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2S/c21-20(22,23)13-3-4-15-16(9-13)18(26)10-17(15)19(27)25-7-8-28-12-14(25)11-24-5-1-2-6-24/h3-4,9,14,17H,1-2,5-8,10-12H2