1-[5-[3-[bis(2-oxidanyl-3-phenoxy-propyl)amino]butyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[5-[3-[bis(2-oxidanyl-3-phenoxy-propyl)amino]butyl]thiophen-2-yl]ethanone Openeye Name: 1-[5-[3-[bis(2-hydroxy-3-phenoxy-propyl)amino]butyl]-2-thienyl]ethanone CAS Name: 1-[5-[3-[bis(2-hydroxy-3-phenoxypropyl)amino]butyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[3-[bis(2-hydroxy-3-phenoxypropyl)amino]butyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[3-[bis(2-hydroxy-3-phenoxy-propyl)amino]butyl]-2-thienyl]ethanone Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)C)N(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)C)N(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C28H35NO5S/c1-21(13-14-27-15-16-28(35-27)22(2)30)29(17-23(31)19-33-25-9-5-3-6-10-25)18-24(32)20-34-26-11-7-4-8-12-26/h3-12,15-16,21,23-24,31-32H,13-14,17-20H2,1-2H3