4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-oxazole; 2-sulfanylpropanoic acid CAS Name: 4-(3,4-dimethoxyphenyl)-5-phenyloxazole; 2-mercaptopropanoic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-oxazole; 2-mercaptopropionic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S.COC1=C(C=C(C=C1)C2=C(OC=N2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C(=O)O)S.COC1=C(C=C(C=C1)C2=C(OC=N2)C3=CC=CC=C3)OC

InChI

InChI=1S/C17H15NO3.C3H6O2S/c1-19-14-9-8-13(10-15(14)20-2)16-17(21-11-18-16)12-6-4-3-5-7-12;1-2(6)3(4)5/h3-11H,1-2H3;2,6H,1H3,(H,4,5)