sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)thiolan-3-yl]phenoxy]propanoate

Systemtic Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)thiolan-3-yl]phenoxy]propanoate Openeye Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)tetrahydrothiophen-3-yl]phenoxy]propanoate CAS Name: sodium 2-[3-[2-(4,5-diphenyl-2-oxazolyl)-3-thiolanyl]phenoxy]propanoate IUPAC Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)thiolan-3-yl]phenoxy]propanoate Traditional Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)tetrahydrothiophen-3-yl]phenoxy]propionate Formula: C28H24NNaO4S MolecularWeight: 493.54923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)C2CCSC2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=CC(=C1)C2CCSC2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C28H25NO4S.Na/c1-18(28(30)31)32-22-14-8-13-21(17-22)23-15-16-34-26(23)27-29-24(19-9-4-2-5-10-19)25(33-27)20-11-6-3-7-12-20;/h2-14,17-18,23,26H,15-16H2,1H3,(H,30,31);/q;+1/p-1