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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]butanoic acid Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)-4-phenyl-oxazol-2-yl]sulfanylbutanoic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-2-oxazolyl]thio]butanoic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]butanoic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-oxazol-2-yl]thio]butyric acid Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=C(O1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=C(O1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H17NO5S/c1-2-16(19(22)23)27-20-21-17(12-6-4-3-5-7-12)18(26-20)13-8-9-14-15(10-13)25-11-24-14/h3-10,16H,2,11H2,1H3,(H,22,23)