2-azanyl-2-[3-[6-(3-phenylmethoxyphenoxy)-1-benzothiophen-3-yl]propyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[3-[6-(3-phenylmethoxyphenoxy)-1-benzothiophen-3-yl]propyl]propane-1,3-diol Openeye Name: 2-amino-2-[3-[6-(3-benzyloxyphenoxy)benzothiophen-3-yl]propyl]propane-1,3-diol CAS Name: 2-amino-2-[3-[6-(3-phenylmethoxyphenoxy)-1-benzothiophen-3-yl]propyl]propane-1,3-diol IUPAC Name: 2-amino-2-[3-[6-(3-phenylmethoxyphenoxy)-1-benzothiophen-3-yl]propyl]propane-1,3-diol Traditional Name: 2-amino-2-[3-[6-(3-benzoxyphenoxy)benzothiophen-3-yl]propyl]propane-1,3-diol Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC4=C(C=C3)C(=CS4)CCCC(CO)(CO)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC4=C(C=C3)C(=CS4)CCCC(CO)(CO)N

InChI

InChI=1S/C27H29NO4S/c28-27(18-29,19-30)13-5-8-21-17-33-26-15-24(11-12-25(21)26)32-23-10-4-9-22(14-23)31-16-20-6-2-1-3-7-20/h1-4,6-7,9-12,14-15,17,29-30H,5,8,13,16,18-19,28H2