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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4-[(5-phenylthiophen-2-yl)methylidene]isoquinolin-2-yl]propanoic acid Openeye Name: 3-[1,3-dioxo-4-[(5-phenyl-2-thienyl)methylene]-2-isoquinolyl]propanoic acid CAS Name: 3-[1,3-dioxo-4-[(5-phenyl-2-thiophenyl)methylidene]-2-isoquinolinyl]propanoic acid IUPAC Name: 3-[1,3-dioxo-4-[(5-phenylthiophen-2-yl)methylidene]isoquinolin-2-yl]propanoic acid Traditional Name: 3-[1,3-diketo-4-[(5-phenyl-2-thienyl)methylene]-2-isoquinolyl]propionic acid Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CCC(=O)O

InChI

InChI=1S/C23H17NO4S/c25-21(26)12-13-24-22(27)18-9-5-4-8-17(18)19(23(24)28)14-16-10-11-20(29-16)15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,26)