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

Systemtic Name: 2-[[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]butanoic acid Openeye Name: 2-[4,5-bis(4-methoxyphenyl)oxazol-2-yl]sulfanylbutanoic acid CAS Name: 2-[[4,5-bis(4-methoxyphenyl)-2-oxazolyl]thio]butanoic acid IUPAC Name: 2-[[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]butanoic acid Traditional Name: 2-[[4,5-bis(4-methoxyphenyl)oxazol-2-yl]thio]butyric acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

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