3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[3-oxidanyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol

Systemtic Name: 3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[3-oxidanyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 2-[3-hydroxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-6-ol CAS Name: 2-[3-hydroxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-[[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-6-ol IUPAC Name: 2-[3-hydroxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol Traditional Name: 2-[3-hydroxy-4-(2-pyrrolidinoethoxy)phenyl]-3-[3-methyl-4-(pyrrolidinomethyl)benzyl]benzothiophen-6-ol Formula: C33H38N2O3S MolecularWeight: 542.73142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC(=C(C=C4)OCCN5CCCC5)O)CN6CCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC(=C(C=C4)OCCN5CCCC5)O)CN6CCCC6

InChI

InChI=1S/C33H38N2O3S/c1-23-18-24(6-7-26(23)22-35-14-4-5-15-35)19-29-28-10-9-27(36)21-32(28)39-33(29)25-8-11-31(30(37)20-25)38-17-16-34-12-2-3-13-34/h6-11,18,20-21,36-37H,2-5,12-17,19,22H2,1H3