2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]ethanethioic S-acid

Systemtic Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]ethanethioic S-acid Openeye Name: 2-[4,5-bis(3,4-dimethoxyphenyl)oxazol-2-yl]ethanethioic S-acid CAS Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-2-oxazolyl]ethanethioic S-acid IUPAC Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]ethanethioic S-acid Traditional Name: 2-[4,5-bis(3,4-dimethoxyphenyl)oxazol-2-yl]thioacetic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-24-14-7-5-12(9-16(14)26-3)20-21(28-18(22-20)11-19(23)29)13-6-8-15(25-2)17(10-13)27-4/h5-10H,11H2,1-4H3,(H,23,29)