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

Systemtic Name: 4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazole; 2-sulfanylethanol Openeye Name: 4,5-bis(3,4-dimethoxyphenyl)oxazole; 2-sulfanylethanol CAS Name: 4,5-bis(3,4-dimethoxyphenyl)oxazole; 2-mercaptoethanol IUPAC Name: 4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazole; 2-sulfanylethanol Traditional Name: 4,5-bis(3,4-dimethoxyphenyl)oxazole; 2-mercaptoethanol Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5.C2H6OS/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;3-1-2-4/h5-11H,1-4H3;3-4H,1-2H2