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

Systemtic Name: thiophen-2-ylmethyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: 2-thienylmethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid 2-thenyl ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC4=CC=CS4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC4=CC=CS4

InChI

InChI=1S/C21H17NO4S/c23-18(26-13-15-7-4-12-27-15)10-3-11-22-20(24)16-8-1-5-14-6-2-9-17(19(14)16)21(22)25/h1-2,4-9,12H,3,10-11,13H2