[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c1-11-15(12(2)26-21-11)9-28-10-19(24)25-8-17(23)14-5-6-18(27-4)16(7-14)20-13(3)22/h5-7H,8-10H2,1-4H3,(H,20,22)