phenyl (E)-2-methyl-2-(1,3-oxazol-4-ylmethylsulfanyl)-4-phenyl-but-3-enoate

Systemtic Name: phenyl (E)-2-methyl-2-(1,3-oxazol-4-ylmethylsulfanyl)-4-phenyl-but-3-enoate Openeye Name: phenyl (E)-2-methyl-2-(oxazol-4-ylmethylsulfanyl)-4-phenyl-but-3-enoate CAS Name: (E)-2-methyl-2-(4-oxazolylmethylthio)-4-phenyl-3-butenoic acid phenyl ester IUPAC Name: phenyl (E)-2-methyl-2-(1,3-oxazol-4-ylmethylsulfanyl)-4-phenylbut-3-enoate Traditional Name: (E)-2-methyl-2-(oxazol-4-ylmethylthio)-4-phenyl-but-3-enoic acid phenyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=CC=C1)(C(=O)OC2=CC=CC=C2)SCC3=COC=N3

Isomeric SMILES

CC(/C=C/C1=CC=CC=C1)(C(=O)OC2=CC=CC=C2)SCC3=COC=N3

InChI

InChI=1S/C21H19NO3S/c1-21(26-15-18-14-24-16-22-18,13-12-17-8-4-2-5-9-17)20(23)25-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3/b13-12+