3-[[4-[3-(butylamino)-2-oxidanyl-propoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol

Systemtic Name: 3-[[4-[3-(butylamino)-2-oxidanyl-propoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol Openeye Name: 3-[[4-[3-(butylamino)-2-hydroxy-propoxy]phenyl]methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol CAS Name: 3-[[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol IUPAC Name: 3-[[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol Traditional Name: 3-[4-[3-(butylamino)-2-hydroxy-propoxy]benzyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(COC1=CC=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O

Isomeric SMILES

CCCCNCC(COC1=CC=C(C=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C28H31NO4S/c1-2-3-14-29-17-23(32)18-33-24-11-4-19(5-12-24)15-26-25-13-10-22(31)16-27(25)34-28(26)20-6-8-21(30)9-7-20/h4-13,16,23,29-32H,2-3,14-15,17-18H2,1H3