S-(2-acetamido-3-phenoxy-propyl) ethanethioate

Systemtic Name: S-(2-acetamido-3-phenoxy-propyl) ethanethioate Openeye Name: S-(2-acetamido-3-phenoxy-propyl) ethanethioate CAS Name: ethanethioic acid S-(2-acetamido-3-phenoxypropyl) ester IUPAC Name: S-(2-acetamido-3-phenoxypropyl) ethanethioate Traditional Name: ethanethioic acid S-(2-acetamido-3-phenoxy-propyl) ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(=O)NC(COC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C13H17NO3S/c1-10(15)14-12(9-18-11(2)16)8-17-13-6-4-3-5-7-13/h3-7,12H,8-9H2,1-2H3,(H,14,15)