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

Systemtic Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(2-quinolylthio)ethanone Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CSC2=NC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H22N2O3S/c26-23(15-29-22-10-8-16-4-1-2-5-18(16)24-22)25-11-3-6-19(25)17-7-9-20-21(14-17)28-13-12-27-20/h1-2,4-5,7-10,14,19H,3,6,11-13,15H2/t19-/m1/s1