ethyl 3-[4-(2-methyl-2-phenyl-propoxy)phenyl]-2-thiocyanato-propanoate

Systemtic Name: ethyl 3-[4-(2-methyl-2-phenyl-propoxy)phenyl]-2-thiocyanato-propanoate Openeye Name: ethyl 3-[4-(2-methyl-2-phenyl-propoxy)phenyl]-2-thiocyanato-propanoate CAS Name: 3-[4-(2-methyl-2-phenylpropoxy)phenyl]-2-thiocyanatopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-methyl-2-phenylpropoxy)phenyl]-2-thiocyanatopropanoate Traditional Name: 3-(4-neophyloxyphenyl)-2-thiocyanato-propionic acid ethyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCC(C)(C)C2=CC=CC=C2)SC#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCC(C)(C)C2=CC=CC=C2)SC#N

InChI

InChI=1S/C22H25NO3S/c1-4-25-21(24)20(27-16-23)14-17-10-12-19(13-11-17)26-15-22(2,3)18-8-6-5-7-9-18/h5-13,20H,4,14-15H2,1-3H3