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

Systemtic Name: 3-[4-[(4-bromanylthiophen-2-yl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[4-[(4-bromo-2-thienyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[4-[(4-bromo-2-thiophenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[4-[(4-bromothiophen-2-yl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[4-[(4-bromo-2-thienyl)methylene]-1,3-diketo-2-isoquinolyl]propionate Formula: C17H11BrNO4S- MolecularWeight: 405.24254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO4S/c18-10-7-11(24-9-10)8-14-12-3-1-2-4-13(12)16(22)19(17(14)23)6-5-15(20)21/h1-4,7-9H,5-6H2,(H,20,21)/p-1