S-[2-(2-acetamido-2-oxidanylidene-ethyl)phenyl] ethanethioate

Systemtic Name: S-[2-(2-acetamido-2-oxidanylidene-ethyl)phenyl] ethanethioate Openeye Name: S-[2-(2-acetamido-2-oxo-ethyl)phenyl] ethanethioate CAS Name: ethanethioic acid S-[2-(2-acetamido-2-oxoethyl)phenyl] ester IUPAC Name: S-[2-(2-acetamido-2-oxoethyl)phenyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(2-acetamido-2-keto-ethyl)phenyl] ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)CC1=CC=CC=C1SC(=O)C

Isomeric SMILES

CC(=O)NC(=O)CC1=CC=CC=C1SC(=O)C

InChI

InChI=1S/C12H13NO3S/c1-8(14)13-12(16)7-10-5-3-4-6-11(10)17-9(2)15/h3-6H,7H2,1-2H3,(H,13,14,16)