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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylsulfanyl]ethanoate Openeye Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]acetate CAS Name: 2-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]acetate IUPAC Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]acetate Traditional Name: 2-[3-(1,3-diketobenzo[de]isoquinolin-2-yl)propylthio]acetate Formula: C17H14NO4S- MolecularWeight: 328.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S/c19-14(20)10-23-9-3-8-18-16(21)12-6-1-4-11-5-2-7-13(15(11)12)17(18)22/h1-2,4-7H,3,8-10H2,(H,19,20)/p-1