2-(1-benzothiophen-3-ylmethyl)-5-[3-(butylamino)-2-oxidanyl-propoxy]-3-(4-hydroxyphenyl)phenol

Systemtic Name: 2-(1-benzothiophen-3-ylmethyl)-5-[3-(butylamino)-2-oxidanyl-propoxy]-3-(4-hydroxyphenyl)phenol Openeye Name: 2-(benzothiophen-3-ylmethyl)-5-[3-(butylamino)-2-hydroxy-propoxy]-3-(4-hydroxyphenyl)phenol CAS Name: 2-(1-benzothiophen-3-ylmethyl)-5-[3-(butylamino)-2-hydroxypropoxy]-3-(4-hydroxyphenyl)phenol IUPAC Name: 2-(1-benzothiophen-3-ylmethyl)-5-[3-(butylamino)-2-hydroxypropoxy]-3-(4-hydroxyphenyl)phenol Traditional Name: 2-(benzothiophen-3-ylmethyl)-5-[3-(butylamino)-2-hydroxy-propoxy]-3-(4-hydroxyphenyl)phenol Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(COC1=CC(=C(C(=C1)C2=CC=C(C=C2)O)CC3=CSC4=CC=CC=C43)O)O

Isomeric SMILES

CCCCNCC(COC1=CC(=C(C(=C1)C2=CC=C(C=C2)O)CC3=CSC4=CC=CC=C43)O)O

InChI

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