S-(4-acetamido-3-ethanoylsulfanyl-phenyl) ethanethioate

Systemtic Name: S-(4-acetamido-3-ethanoylsulfanyl-phenyl) ethanethioate Openeye Name: S-(4-acetamido-3-acetylsulfanyl-phenyl) ethanethioate CAS Name: ethanethioic acid S-[4-acetamido-3-(acetylthio)phenyl] ester IUPAC Name: S-(4-acetamido-3-acetylsulfanylphenyl) ethanethioate Traditional Name: ethanethioic acid S-[4-acetamido-3-(acetylthio)phenyl] ester Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC(=O)C)SC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC(=O)C)SC(=O)C

InChI

InChI=1S/C12H13NO3S2/c1-7(14)13-11-5-4-10(17-8(2)15)6-12(11)18-9(3)16/h4-6H,1-3H3,(H,13,14)