[6-oxidanyl-2-(4-oxidanylcyclohexyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [6-oxidanyl-2-(4-oxidanylcyclohexyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Openeye Name: [6-hydroxy-2-(4-hydroxycyclohexyl)benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone CAS Name: [6-hydroxy-2-(4-hydroxycyclohexyl)-1-benzothiophen-3-yl]-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone IUPAC Name: [6-hydroxy-2-(4-hydroxycyclohexyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Traditional Name: [6-hydroxy-2-(4-hydroxycyclohexyl)benzothiophen-3-yl]-[4-(2-pyrrolidinoethoxy)phenyl]methanone Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5CCC(CC5)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5CCC(CC5)O

InChI

InChI=1S/C27H31NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h5-6,9-12,17,19-20,29-30H,1-4,7-8,13-16H2