[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C

InChI

InChI=1S/C17H18N2O5S/c1-9-16(10(2)24-19-9)17(22)23-8-14(21)12-5-6-15(25-4)13(7-12)18-11(3)20/h5-7H,8H2,1-4H3,(H,18,20)