3-[4-[(5-bromanylthiophen-2-yl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[4-[(5-bromanylthiophen-2-yl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoic acid Openeye Name: 3-[4-[(5-bromo-2-thienyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoic acid CAS Name: 3-[4-[(5-bromo-2-thiophenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoic acid IUPAC Name: 3-[4-[(5-bromothiophen-2-yl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoic acid Traditional Name: 3-[4-[(5-bromo-2-thienyl)methylene]-1,3-diketo-2-isoquinolyl]propionic acid Formula: C17H12BrNO4S MolecularWeight: 406.25048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(S3)Br)C(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=CC=C(S3)Br)C(=O)N(C2=O)CCC(=O)O

InChI

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