ethyl 2-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(6-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)thiazole-5-carboxylate CAS Name: 2-(6-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(6-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)thiazole-5-carboxylic acid ethyl ester Formula: C18H11BrN2O4S MolecularWeight: 431.25994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(S1)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O

Isomeric SMILES

CCOC(=O)C1=CN=C(S1)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O

InChI

InChI=1S/C18H11BrN2O4S/c1-2-25-17(24)13-8-20-18(26-13)21-15(22)10-5-3-4-9-12(19)7-6-11(14(9)10)16(21)23/h3-8H,2H2,1H3