S-[[5-(ethanoylsulfanylmethyl)-2-phenyl-1,3-oxazol-4-yl]methyl] ethanethioate

Systemtic Name: S-[[5-(ethanoylsulfanylmethyl)-2-phenyl-1,3-oxazol-4-yl]methyl] ethanethioate Openeye Name: S-[[5-(acetylsulfanylmethyl)-2-phenyl-oxazol-4-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[5-[(acetylthio)methyl]-2-phenyl-4-oxazolyl]methyl] ester IUPAC Name: S-[[5-(acetylsulfanylmethyl)-2-phenyl-1,3-oxazol-4-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[5-[(acetylthio)methyl]-2-phenyl-oxazol-4-yl]methyl] ester Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(OC(=N1)C2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC(=O)SCC1=C(OC(=N1)C2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C15H15NO3S2/c1-10(17)20-8-13-14(9-21-11(2)18)19-15(16-13)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3