3-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenoxy]butanenitrile

Systemtic Name: 3-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenoxy]butanenitrile Openeye Name: 3-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]butanenitrile CAS Name: 3-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]phenoxy]butanenitrile IUPAC Name: 3-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]butanenitrile Traditional Name: 3-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]butyronitrile Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC(CC#N)OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H19NO4S/c1-15(12-13-26)30-20-9-4-16(5-10-20)24(29)23-21-11-8-19(28)14-22(21)31-25(23)17-2-6-18(27)7-3-17/h2-11,14-15,27-28H,12H2,1H3