(2-azanyl-2-oxidanylidene-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)N

InChI

InChI=1S/C15H16N2O4S/c1-9-12(10(2)21-17-9)8-22-13-6-4-3-5-11(13)15(19)20-7-14(16)18/h3-6H,7-8H2,1-2H3,(H2,16,18)