2-[(4Z)-4-[(4-bromanylthiophen-2-yl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethanoate

Systemtic Name: 2-[(4Z)-4-[(4-bromanylthiophen-2-yl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethanoate Openeye Name: 2-[(4Z)-4-[(4-bromo-2-thienyl)methylene]-1,3-dioxo-2-isoquinolyl]acetate CAS Name: 2-[(4Z)-4-[(4-bromo-2-thiophenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]acetate IUPAC Name: 2-[(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetate Traditional Name: 2-[(4Z)-4-[(4-bromo-2-thienyl)methylene]-1,3-diketo-2-isoquinolyl]acetate Formula: C16H9BrNO4S- MolecularWeight: 391.21596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC(=CS3)Br)C(=O)N(C2=O)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/C3=CC(=CS3)Br)/C(=O)N(C2=O)CC(=O)[O-]

InChI

InChI=1S/C16H10BrNO4S/c17-9-5-10(23-8-9)6-13-11-3-1-2-4-12(11)15(21)18(16(13)22)7-14(19)20/h1-6,8H,7H2,(H,19,20)/p-1/b13-6-