2-[[4,5-bis(4-ethoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4,5-bis(4-ethoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4,5-bis(4-ethoxyphenyl)oxazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4,5-bis(4-ethoxyphenyl)-2-oxazolyl]thio]acetic acid IUPAC Name: 2-[[4,5-bis(4-ethoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4,5-bis(p-phenetyl)oxazol-2-yl]thio]acetic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H21NO5S/c1-3-25-16-9-5-14(6-10-16)19-20(27-21(22-19)28-13-18(23)24)15-7-11-17(12-8-15)26-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,24)