[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

Systemtic Name: [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone Openeye Name: [5-[(2-methylsulfanylphenoxy)methyl]isoxazol-3-yl]-[2-(2-pyridyl)pyrrolidin-1-yl]methanone CAS Name: [5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-[2-(2-pyridinyl)-1-pyrrolidinyl]methanone IUPAC Name: [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone Traditional Name: [5-[[2-(methylthio)phenoxy]methyl]isoxazol-3-yl]-[2-(2-pyridyl)pyrrolidino]methanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCCC3C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCCC3C4=CC=CC=N4

InChI

InChI=1S/C21H21N3O3S/c1-28-20-10-3-2-9-19(20)26-14-15-13-17(23-27-15)21(25)24-12-6-8-18(24)16-7-4-5-11-22-16/h2-5,7,9-11,13,18H,6,8,12,14H2,1H3