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

Systemtic Name: 2-azanyl-2-[3-[2-(2-phenylmethoxyphenoxy)-1-benzothiophen-3-yl]propyl]propane-1,3-diol Openeye Name: 2-amino-2-[3-[2-(2-benzyloxyphenoxy)benzothiophen-3-yl]propyl]propane-1,3-diol CAS Name: 2-amino-2-[3-[2-(2-phenylmethoxyphenoxy)-1-benzothiophen-3-yl]propyl]propane-1,3-diol IUPAC Name: 2-amino-2-[3-[2-(2-phenylmethoxyphenoxy)-1-benzothiophen-3-yl]propyl]propane-1,3-diol Traditional Name: 2-amino-2-[3-[2-(2-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=C2OC3=C(C4=CC=CC=C4S3)CCCC(CO)(CO)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2OC3=C(C4=CC=CC=C4S3)CCCC(CO)(CO)N

InChI

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