6-[4-(2-azanylquinolin-8-yl)oxypentoxy]-1,3-benzoxathiol-2-one

Systemtic Name: 6-[4-(2-azanylquinolin-8-yl)oxypentoxy]-1,3-benzoxathiol-2-one Openeye Name: 6-[4-[(2-amino-8-quinolyl)oxy]pentoxy]-1,3-benzoxathiol-2-one CAS Name: 6-[4-[(2-amino-8-quinolinyl)oxy]pentoxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-[4-(2-aminoquinolin-8-yl)oxypentoxy]-1,3-benzoxathiol-2-one Traditional Name: 6-[4-[(2-amino-8-quinolyl)oxy]pentoxy]-1,3-benzoxathiol-2-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC1=CC2=C(C=C1)SC(=O)O2)OC3=CC=CC4=C3N=C(C=C4)N

Isomeric SMILES

CC(CCCOC1=CC2=C(C=C1)SC(=O)O2)OC3=CC=CC4=C3N=C(C=C4)N

InChI

InChI=1S/C21H20N2O4S/c1-13(26-16-6-2-5-14-7-10-19(22)23-20(14)16)4-3-11-25-15-8-9-18-17(12-15)27-21(24)28-18/h2,5-10,12-13H,3-4,11H2,1H3,(H2,22,23)