5-[[3-[1-(7-chloranylquinolin-2-yl)ethenyl]phenoxy]methyl]-3-methyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[[3-[1-(7-chloranylquinolin-2-yl)ethenyl]phenoxy]methyl]-3-methyl-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[3-[1-(7-chloro-2-quinolyl)vinyl]phenoxy]methyl]-3-methyl-benzothiophene-2-carboxylic acid CAS Name: 5-[[3-[1-(7-chloro-2-quinolinyl)ethenyl]phenoxy]methyl]-3-methyl-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[3-[1-(7-chloroquinolin-2-yl)ethenyl]phenoxy]methyl]-3-methyl-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[[3-[1-(7-chloro-2-quinolyl)vinyl]phenoxy]methyl]-3-methyl-benzothiophene-2-carboxylic acid Formula: C28H20ClNO3S MolecularWeight: 485.9813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)COC3=CC=CC(=C3)C(=C)C4=NC5=C(C=CC(=C5)Cl)C=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)COC3=CC=CC(=C3)C(=C)C4=NC5=C(C=CC(=C5)Cl)C=C4)C(=O)O

InChI

InChI=1S/C28H20ClNO3S/c1-16(24-10-8-19-7-9-21(29)14-25(19)30-24)20-4-3-5-22(13-20)33-15-18-6-11-26-23(12-18)17(2)27(34-26)28(31)32/h3-14H,1,15H2,2H3,(H,31,32)