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

Systemtic Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[4,5-bis(1,3-benzodioxol-5-yl)oxazol-2-yl]sulfanylpropanoic acid CAS Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-2-oxazolyl]thio]propanoic acid IUPAC Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)oxazol-2-yl]thio]propionic acid Formula: C20H15NO7S MolecularWeight: 413.4006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=C(O1)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)O)SC1=NC(=C(O1)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H15NO7S/c1-10(19(22)23)29-20-21-17(11-2-4-13-15(6-11)26-8-24-13)18(28-20)12-3-5-14-16(7-12)27-9-25-14/h2-7,10H,8-9H2,1H3,(H,22,23)