1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(2-pyrimidylthio)ethanone Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC=CC=N2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC=CC=N2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H19N3O3S/c22-17(12-25-18-19-6-2-7-20-18)21-8-1-3-14(21)13-4-5-15-16(11-13)24-10-9-23-15/h2,4-7,11,14H,1,3,8-10,12H2