(4-ethoxycarbonylphenyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: (4-ethoxycarbonylphenyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: (4-ethoxycarbonylphenyl) 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid (4-carbethoxyphenyl) ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

InChI

InChI=1S/C21H19NO5S/c1-3-25-20(23)15-8-10-17(11-9-15)26-21(24)18-6-4-5-7-19(18)28-13-16-12-14(2)27-22-16/h4-12H,3,13H2,1-2H3