(5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl (2S)-2-[[(E)-styryl]sulfonylamino]propanoate CAS Name: (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: (2S)-2-[[(E)-styryl]sulfonylamino]propionic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-16(23-29(25,26)13-12-17-8-4-2-5-9-17)21(24)27-15-19-14-20(28-22-19)18-10-6-3-7-11-18/h2-14,16,23H,15H2,1H3/b13-12+/t16-/m0/s1