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

Systemtic Name: [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidinomethyl)phenyl]methanone Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)CN5CCCC5

InChI

InChI=1S/C27H25NO4S/c1-32-23-14-18(4-5-19(23)16-28-12-2-3-13-28)26(31)25-22-11-10-21(30)15-24(22)33-27(25)17-6-8-20(29)9-7-17/h4-11,14-15,29-30H,2-3,12-13,16H2,1H3