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

Systemtic Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cyclopentyl-6-methoxy-1-benzothiophen-3-yl)methanone Openeye Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cyclopentyl-6-methoxy-benzothiophen-3-yl)methanone CAS Name: [4-[2-(1-azepanyl)ethoxy]phenyl]-(2-cyclopentyl-6-methoxy-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cyclopentyl-6-methoxy-1-benzothiophen-3-yl)methanone Traditional Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-cyclopentyl-6-methoxy-benzothiophen-3-yl)methanone Formula: C29H35NO3S MolecularWeight: 477.6581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3CCCC3)C(=O)C4=CC=C(C=C4)OCCN5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3CCCC3)C(=O)C4=CC=C(C=C4)OCCN5CCCCCC5

InChI

InChI=1S/C29H35NO3S/c1-32-24-14-15-25-26(20-24)34-29(22-8-4-5-9-22)27(25)28(31)21-10-12-23(13-11-21)33-19-18-30-16-6-2-3-7-17-30/h10-15,20,22H,2-9,16-19H2,1H3