prop-1-en-2-olate; 3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propane-1,2-diol

Systemtic Name: prop-1-en-2-olate; 3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propane-1,2-diol Openeye Name: prop-1-en-2-olate; 3-[4-[5-(2-thienyl)-1H-imidazol-2-yl]phenoxy]propane-1,2-diol CAS Name: 1-propen-2-olate; 3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propane-1,2-diol IUPAC Name: prop-1-en-2-olate; 3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propane-1,2-diol Traditional Name: prop-1-en-2-olate; 3-[4-[5-(2-thienyl)-1H-imidazol-2-yl]phenoxy]propane-1,2-diol Formula: C19H21N2O4S- MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[O-].C1=CSC(=C1)C2=CN=C(N2)C3=CC=C(C=C3)OCC(CO)O

Isomeric SMILES

CC(=C)[O-].C1=CSC(=C1)C2=CN=C(N2)C3=CC=C(C=C3)OCC(CO)O

InChI

InChI=1S/C16H16N2O3S.C3H6O/c19-9-12(20)10-21-13-5-3-11(4-6-13)16-17-8-14(18-16)15-2-1-7-22-15;1-3(2)4/h1-8,12,19-20H,9-10H2,(H,17,18);4H,1H2,2H3/p-1