S-(2-acetamido-2-oxidanylidene-ethyl) 2-phenylethanethioate

Systemtic Name: S-(2-acetamido-2-oxidanylidene-ethyl) 2-phenylethanethioate Openeye Name: S-(2-acetamido-2-oxo-ethyl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(2-acetamido-2-oxoethyl) ester IUPAC Name: S-(2-acetamido-2-oxoethyl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(2-acetamido-2-keto-ethyl) ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)CSC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(=O)CSC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H13NO3S/c1-9(14)13-11(15)8-17-12(16)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14,15)