(5-phenyl-1,2-oxazol-3-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c1-13(27-17-9-7-16(8-10-17)21(23)24)19(22)25-12-15-11-18(26-20-15)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3/t13-/m1/s1