ethyl 3-(3-methylphenyl)-2-thiocyanato-propanoate

Systemtic Name: ethyl 3-(3-methylphenyl)-2-thiocyanato-propanoate Openeye Name: ethyl 3-(m-tolyl)-2-thiocyanato-propanoate CAS Name: 3-(3-methylphenyl)-2-thiocyanatopropanoic acid ethyl ester IUPAC Name: ethyl 3-(3-methylphenyl)-2-thiocyanatopropanoate Traditional Name: 3-(m-tolyl)-2-thiocyanato-propionic acid ethyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC(=C1)C)SC#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC(=C1)C)SC#N

InChI

InChI=1S/C13H15NO2S/c1-3-16-13(15)12(17-9-14)8-11-6-4-5-10(2)7-11/h4-7,12H,3,8H2,1-2H3