ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propanoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propionic acid ethyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(ON=C2C)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(ON=C2C)C

InChI

InChI=1S/C17H22N2O5S2/c1-4-23-17(20)15(11-25-10-14-8-6-5-7-9-14)19-26(21,22)16-12(2)18-24-13(16)3/h5-9,15,19H,4,10-11H2,1-3H3