3-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylsulfanyl]propanoate

Systemtic Name: 3-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylsulfanyl]propanoate Openeye Name: 3-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]propanoate CAS Name: 3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoate IUPAC Name: 3-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]propanoate Traditional Name: 3-[3-(1,3-diketobenzo[de]isoquinolin-2-yl)propylthio]propionate Formula: C18H16NO4S- MolecularWeight: 342.38894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSCCC(=O)[O-]

InChI

InChI=1S/C18H17NO4S/c20-15(21)8-11-24-10-3-9-19-17(22)13-6-1-4-12-5-2-7-14(16(12)13)18(19)23/h1-2,4-7H,3,8-11H2,(H,20,21)/p-1