1-[2-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[3-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[3-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine Formula: C28H29NO3S MolecularWeight: 459.59976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)OCCN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)OCCN5CCCC5

InChI

InChI=1S/C28H29NO3S/c1-30-22-10-8-20(9-11-22)28-27(25-13-12-23(31-2)19-26(25)33-28)21-6-5-7-24(18-21)32-17-16-29-14-3-4-15-29/h5-13,18-19H,3-4,14-17H2,1-2H3