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

Systemtic Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4,5-bis(1,3-benzodioxol-5-yl)oxazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-2-oxazolyl]thio]acetic acid IUPAC Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-1,3-oxazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)oxazol-2-yl]thio]acetic acid Formula: C19H13NO7S MolecularWeight: 399.37402

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(OC(=N3)SCC(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(OC(=N3)SCC(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H13NO7S/c21-16(22)7-28-19-20-17(10-1-3-12-14(5-10)25-8-23-12)18(27-19)11-2-4-13-15(6-11)26-9-24-13/h1-6H,7-9H2,(H,21,22)