[6-oxidanyl-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-(3-pyrrolidin-1-ylcycloheptyl)oxyphenyl]methanone

Systemtic Name: [6-oxidanyl-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-(3-pyrrolidin-1-ylcycloheptyl)oxyphenyl]methanone Openeye Name: [6-hydroxy-2-(4-isopropoxyphenyl)benzothiophen-3-yl]-[4-(3-pyrrolidin-1-ylcycloheptoxy)phenyl]methanone CAS Name: [6-hydroxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-[3-(1-pyrrolidinyl)cycloheptyl]oxyphenyl]methanone IUPAC Name: [6-hydroxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-(3-pyrrolidin-1-ylcycloheptyl)oxyphenyl]methanone Traditional Name: [6-hydroxy-2-(4-isopropoxyphenyl)benzothiophen-3-yl]-[4-(3-pyrrolidinocycloheptoxy)phenyl]methanone Formula: C35H39NO4S MolecularWeight: 569.75346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OC5CCCCC(C5)N6CCCC6

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OC5CCCCC(C5)N6CCCC6

InChI

InChI=1S/C35H39NO4S/c1-23(2)39-28-16-11-25(12-17-28)35-33(31-18-13-27(37)22-32(31)41-35)34(38)24-9-14-29(15-10-24)40-30-8-4-3-7-26(21-30)36-19-5-6-20-36/h9-18,22-23,26,30,37H,3-8,19-21H2,1-2H3