[4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)methanone Openeye Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cycloheptyl-6-methoxy-benzothiophen-3-yl)methanone CAS Name: [4-[2-(1-azepanyl)ethoxy]phenyl]-(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)methanone Traditional Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cycloheptyl-6-methoxy-benzothiophen-3-yl)methanone Formula: C31H39NO3S MolecularWeight: 505.71126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCCC3)C(=O)C4=CC=C(C=C4)OCCN5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCCC3)C(=O)C4=CC=C(C=C4)OCCN5CCCCCC5

InChI

InChI=1S/C31H39NO3S/c1-34-26-16-17-27-28(22-26)36-31(24-10-6-2-3-7-11-24)29(27)30(33)23-12-14-25(15-13-23)35-21-20-32-18-8-4-5-9-19-32/h12-17,22,24H,2-11,18-21H2,1H3