6-chloranyl-3-[(E)-5-(4-methoxyphenoxy)-2-[(4-methoxyphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one

Systemtic Name: 6-chloranyl-3-[(E)-5-(4-methoxyphenoxy)-2-[(4-methoxyphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Openeye Name: 6-chloro-3-[(E)-5-(4-methoxyphenoxy)-2-[(4-methoxyphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one CAS Name: 6-chloro-3-[(E)-5-(4-methoxyphenoxy)-2-[(4-methoxyphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-1-benzothiopyran-4-one IUPAC Name: 6-chloro-3-[(E)-5-(4-methoxyphenoxy)-2-[(4-methoxyphenoxy)methyl]pent-1-en-3-ynyl]-2-phenylthiochromen-4-one Traditional Name: 6-chloro-3-[(E)-5-(4-methoxyphenoxy)-2-[(4-methoxyphenoxy)methyl]pent-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Formula: C35H27ClO5S MolecularWeight: 595.10388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC#CC(=CC2=C(SC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4)COC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC#C/C(=C\C2=C(SC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4)/COC5=CC=C(C=C5)OC

InChI

InChI=1S/C35H27ClO5S/c1-38-27-11-15-29(16-12-27)40-20-6-7-24(23-41-30-17-13-28(39-2)14-18-30)21-32-34(37)31-22-26(36)10-19-33(31)42-35(32)25-8-4-3-5-9-25/h3-5,8-19,21-22H,20,23H2,1-2H3/b24-21+