1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-6-oxidanyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-6-oxidanyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]methanone Openeye Name: benzothiophen-3-yl-[2-hydroxy-4-[2-hydroxy-3-(isopropylamino)propoxy]-6-(4-hydroxyphenyl)phenyl]methanone CAS Name: 1-benzothiophen-3-yl-[2-hydroxy-6-(4-hydroxyphenyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone IUPAC Name: 1-benzothiophen-3-yl-[2-hydroxy-6-(4-hydroxyphenyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone Traditional Name: benzothiophen-3-yl-[2-hydroxy-4-[2-hydroxy-3-(isopropylamino)propoxy]-6-(4-hydroxyphenyl)phenyl]methanone Formula: C27H27NO5S MolecularWeight: 477.57198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC(=C(C(=C1)C2=CC=C(C=C2)O)C(=O)C3=CSC4=CC=CC=C43)O)O

Isomeric SMILES

CC(C)NCC(COC1=CC(=C(C(=C1)C2=CC=C(C=C2)O)C(=O)C3=CSC4=CC=CC=C43)O)O

InChI

InChI=1S/C27H27NO5S/c1-16(2)28-13-19(30)14-33-20-11-22(17-7-9-18(29)10-8-17)26(24(31)12-20)27(32)23-15-34-25-6-4-3-5-21(23)25/h3-12,15-16,19,28-31H,13-14H2,1-2H3