ethyl 3-(4-ethoxyphenyl)-2-thiocyanato-propanoate

Systemtic Name: ethyl 3-(4-ethoxyphenyl)-2-thiocyanato-propanoate Openeye Name: ethyl 3-(4-ethoxyphenyl)-2-thiocyanato-propanoate CAS Name: 3-(4-ethoxyphenyl)-2-thiocyanatopropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxyphenyl)-2-thiocyanatopropanoate Traditional Name: 3-p-phenetyl-2-thiocyanato-propionic acid ethyl ester Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)OCC)SC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)OCC)SC#N

InChI

InChI=1S/C14H17NO3S/c1-3-17-12-7-5-11(6-8-12)9-13(19-10-15)14(16)18-4-2/h5-8,13H,3-4,9H2,1-2H3