S-[2-isocyanato-3-(2-methylphenyl)propyl] ethanethioate

Systemtic Name: S-[2-isocyanato-3-(2-methylphenyl)propyl] ethanethioate Openeye Name: S-[2-isocyanato-3-(o-tolyl)propyl] ethanethioate CAS Name: ethanethioic acid S-[2-isocyanato-3-(2-methylphenyl)propyl] ester IUPAC Name: S-[2-isocyanato-3-(2-methylphenyl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-isocyanato-3-(o-tolyl)propyl] ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)N=C=O

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)N=C=O

InChI

InChI=1S/C13H15NO2S/c1-10-5-3-4-6-12(10)7-13(14-9-15)8-17-11(2)16/h3-6,13H,7-8H2,1-2H3