4-[3-(3-chloranyl-1-benzothiophen-2-yl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol

Systemtic Name: 4-[3-(3-chloranyl-1-benzothiophen-2-yl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol Openeye Name: 4-[3-(3-chlorobenzothiophen-2-yl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol CAS Name: 4-[3-(3-chloro-1-benzothiophen-2-yl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol IUPAC Name: 4-[3-(3-chloro-1-benzothiophen-2-yl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol Traditional Name: 4-[3-(3-chlorobenzothiophen-2-yl)-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol Formula: C25H22ClNO3S MolecularWeight: 451.96508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(NC(CC2=C1)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)O)OC

Isomeric SMILES

COC1=CC(=C2C(NC(CC2=C1)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)O)OC

InChI

InChI=1S/C25H22ClNO3S/c1-29-17-11-15-12-19(25-23(26)18-5-3-4-6-21(18)31-25)27-24(22(15)20(13-17)30-2)14-7-9-16(28)10-8-14/h3-11,13,19,24,27-28H,12H2,1-2H3