4-[2-(2-methylsulfanylphenyl)ethynyl]-3-(2-phenyl-1-benzofuran-3-yl)isochromen-1-one

Systemtic Name: 4-[2-(2-methylsulfanylphenyl)ethynyl]-3-(2-phenyl-1-benzofuran-3-yl)isochromen-1-one Openeye Name: 4-[2-(2-methylsulfanylphenyl)ethynyl]-3-(2-phenylbenzofuran-3-yl)isochromen-1-one CAS Name: 4-[2-[2-(methylthio)phenyl]ethynyl]-3-(2-phenyl-3-benzofuranyl)-2-benzopyran-1-one IUPAC Name: 4-[2-(2-methylsulfanylphenyl)ethynyl]-3-(2-phenyl-1-benzofuran-3-yl)isochromen-1-one Traditional Name: 4-[2-[2-(methylthio)phenyl]ethynyl]-3-(2-phenylbenzofuran-3-yl)isocoumarin Formula: C32H20O3S MolecularWeight: 484.5644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C#CC2=C(OC(=O)C3=CC=CC=C32)C4=C(OC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CSC1=CC=CC=C1C#CC2=C(OC(=O)C3=CC=CC=C32)C4=C(OC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C32H20O3S/c1-36-28-18-10-5-11-21(28)19-20-24-23-14-6-7-15-25(23)32(33)35-31(24)29-26-16-8-9-17-27(26)34-30(29)22-12-3-2-4-13-22/h2-18H,1H3