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

Systemtic Name: [2-(3-methylcyclohexyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Openeye Name: [6-hydroxy-2-(3-methylcyclohexyl)benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone CAS Name: [6-hydroxy-2-(3-methylcyclohexyl)-1-benzothiophen-3-yl]-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone IUPAC Name: [6-hydroxy-2-(3-methylcyclohexyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Traditional Name: [6-hydroxy-2-(3-methylcyclohexyl)benzothiophen-3-yl]-[4-(2-pyrrolidinoethoxy)phenyl]methanone Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1CCCC(C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H33NO3S/c1-19-5-4-6-21(17-19)28-26(24-12-9-22(30)18-25(24)33-28)27(31)20-7-10-23(11-8-20)32-16-15-29-13-2-3-14-29/h7-12,18-19,21,30H,2-6,13-17H2,1H3