S-(2-isocyanato-3-phenyl-propyl) ethanethioate

Systemtic Name: S-(2-isocyanato-3-phenyl-propyl) ethanethioate Openeye Name: S-(2-isocyanato-3-phenyl-propyl) ethanethioate CAS Name: ethanethioic acid S-(2-isocyanato-3-phenylpropyl) ester IUPAC Name: S-(2-isocyanato-3-phenylpropyl) ethanethioate Traditional Name: ethanethioic acid S-(2-isocyanato-3-phenyl-propyl) ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)N=C=O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)N=C=O

InChI

InChI=1S/C12H13NO2S/c1-10(15)16-8-12(13-9-14)7-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3