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

Systemtic Name: 4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: 4,5-bis(3,4-dimethoxyphenyl)oxazole; 2-sulfanylpropanoic acid CAS Name: 4,5-bis(3,4-dimethoxyphenyl)oxazole; 2-mercaptopropanoic acid IUPAC Name: 4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: 4,5-bis(3,4-dimethoxyphenyl)oxazole; 2-mercaptopropionic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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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(=C(C=C3)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5.C3H6O2S/c1-21-14-7-5-12(9-16(14)23-3)18-19(25-11-20-18)13-6-8-15(22-2)17(10-13)24-4;1-2(6)3(4)5/h5-11H,1-4H3;2,6H,1H3,(H,4,5)