4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-6,7-dimethoxy-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-6,7-dimethoxy-3-thiophen-3-yl-isochromen-1-one Openeye Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-6,7-dimethoxy-3-(3-thienyl)isochromen-1-one CAS Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-6,7-dimethoxy-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-6,7-dimethoxy-3-thiophen-3-ylisochromen-1-one Traditional Name: 4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-6,7-dimethoxy-3-(3-thienyl)isocoumarin Formula: C25H14F6O4S MolecularWeight: 524.431679

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC

InChI

InChI=1S/C25H14F6O4S/c1-33-20-10-18-17(4-3-13-7-15(24(26,27)28)9-16(8-13)25(29,30)31)22(14-5-6-36-12-14)35-23(32)19(18)11-21(20)34-2/h5-12H,1-2H3