3-[(4-azanyl-3-thiophen-3-yl-phenyl)-[2,3-bis(oxidanyl)propyl]amino]propane-1,2-diol

Systemtic Name: 3-[(4-azanyl-3-thiophen-3-yl-phenyl)-[2,3-bis(oxidanyl)propyl]amino]propane-1,2-diol Openeye Name: 3-[4-amino-N-(2,3-dihydroxypropyl)-3-(3-thienyl)anilino]propane-1,2-diol CAS Name: 3-[4-amino-N-(2,3-dihydroxypropyl)-3-(3-thiophenyl)anilino]propane-1,2-diol IUPAC Name: 3-[4-amino-N-(2,3-dihydroxypropyl)-3-thiophen-3-ylanilino]propane-1,2-diol Traditional Name: 3-[4-amino-N-glyceryl-3-(3-thienyl)anilino]propane-1,2-diol Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(CC(CO)O)CC(CO)O)C2=CSC=C2)N

Isomeric SMILES

C1=CC(=C(C=C1N(CC(CO)O)CC(CO)O)C2=CSC=C2)N

InChI

InChI=1S/C16H22N2O4S/c17-16-2-1-12(5-15(16)11-3-4-23-10-11)18(6-13(21)8-19)7-14(22)9-20/h1-5,10,13-14,19-22H,6-9,17H2