4-[3,5-bis(fluoranyl)phenyl]-6,7-dimethoxy-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 4-[3,5-bis(fluoranyl)phenyl]-6,7-dimethoxy-3-thiophen-3-yl-isochromen-1-one Openeye Name: 4-(3,5-difluorophenyl)-6,7-dimethoxy-3-(3-thienyl)isochromen-1-one CAS Name: 4-(3,5-difluorophenyl)-6,7-dimethoxy-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 4-(3,5-difluorophenyl)-6,7-dimethoxy-3-thiophen-3-ylisochromen-1-one Traditional Name: 4-(3,5-difluorophenyl)-6,7-dimethoxy-3-(3-thienyl)isocoumarin Formula: C21H14F2O4S MolecularWeight: 400.395266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C4=CC(=CC(=C4)F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C4=CC(=CC(=C4)F)F)OC

InChI

InChI=1S/C21H14F2O4S/c1-25-17-8-15-16(9-18(17)26-2)21(24)27-20(11-3-4-28-10-11)19(15)12-5-13(22)7-14(23)6-12/h3-10H,1-2H3