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

Systemtic Name: 2-[[4,5-bis(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]sulfanyl]butanoic acid Openeye Name: 2-[4,5-bis(4-isopropylphenyl)oxazol-2-yl]sulfanylbutanoic acid CAS Name: 2-[[4,5-bis(4-propan-2-ylphenyl)-2-oxazolyl]thio]butanoic acid IUPAC Name: 2-[[4,5-bis(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]sulfanyl]butanoic acid Traditional Name: 2-[[4,5-bis(p-cumenyl)oxazol-2-yl]thio]butyric acid Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO3S/c1-6-21(24(27)28)30-25-26-22(19-11-7-17(8-12-19)15(2)3)23(29-25)20-13-9-18(10-14-20)16(4)5/h7-16,21H,6H2,1-5H3,(H,27,28)