(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17NO5S/c24-17(18-9-4-12-29-18)13-28-19(25)10-3-11-23-21(26)15-7-1-5-14-6-2-8-16(20(14)15)22(23)27/h1-2,4-9,12H,3,10-11,13H2