N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-quinolylthio)acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O3S/c1-14(16-6-8-18-19(12-16)26-11-10-25-18)22-20(24)13-27-21-9-7-15-4-2-3-5-17(15)23-21/h2-9,12,14H,10-11,13H2,1H3,(H,22,24)/t14-/m1/s1