5-[[4-[1-(7-chloranylquinolin-2-yl)ethenyl]phenoxy]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[[4-[1-(7-chloranylquinolin-2-yl)ethenyl]phenoxy]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[4-[1-(7-chloro-2-quinolyl)vinyl]phenoxy]methyl]benzothiophene-2-carboxylic acid CAS Name: 5-[[4-[1-(7-chloro-2-quinolinyl)ethenyl]phenoxy]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[4-[1-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[[4-[1-(7-chloro-2-quinolyl)vinyl]phenoxy]methyl]benzothiophene-2-carboxylic acid Formula: C27H18ClNO3S MolecularWeight: 471.95472

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=C(C=C1)OCC2=CC3=C(C=C2)SC(=C3)C(=O)O)C4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

C=C(C1=CC=C(C=C1)OCC2=CC3=C(C=C2)SC(=C3)C(=O)O)C4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C27H18ClNO3S/c1-16(23-10-6-19-3-7-21(28)14-24(19)29-23)18-4-8-22(9-5-18)32-15-17-2-11-25-20(12-17)13-26(33-25)27(30)31/h2-14H,1,15H2,(H,30,31)