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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)-4-phenyl-oxazol-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-2-oxazolyl]thio]propanoic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-oxazol-2-yl]thio]propionic acid Formula: C19H15NO5S MolecularWeight: 369.3911

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO5S/c1-11(18(21)22)26-19-20-16(12-5-3-2-4-6-12)17(25-19)13-7-8-14-15(9-13)24-10-23-14/h2-9,11H,10H2,1H3,(H,21,22)