[2-(4-hydroxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone

Systemtic Name: [2-(4-hydroxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: [2-(4-hydroxyphenyl)-6-methoxy-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: [2-(4-hydroxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: [2-(4-hydroxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: [2-(4-hydroxyphenyl)-6-methoxy-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidinomethyl)phenyl]methanone Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)O)CN5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)O)CN5CCCC5

InChI

InChI=1S/C28H27NO3S/c1-18-15-20(5-6-21(18)17-29-13-3-4-14-29)27(31)26-24-12-11-23(32-2)16-25(24)33-28(26)19-7-9-22(30)10-8-19/h5-12,15-16,30H,3-4,13-14,17H2,1-2H3