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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-5-phenyl-oxazol-2-yl]-2-sulfanyl-acetic acid CAS Name: 2-[4-(3,4-dimethoxyphenyl)-5-phenyl-2-oxazolyl]-2-mercaptoacetic acid IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]-2-sulfanylacetic acid Traditional Name: 2-[4-(3,4-dimethoxyphenyl)-5-phenyl-oxazol-2-yl]-2-mercapto-acetic acid Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S/c1-23-13-9-8-12(10-14(13)24-2)15-16(11-6-4-3-5-7-11)25-18(20-15)17(26)19(21)22/h3-10,17,26H,1-2H3,(H,21,22)