2-methylpropyl 2-methyl-3-(4-methylphenyl)-2-thiocyanato-propanoate

Systemtic Name: 2-methylpropyl 2-methyl-3-(4-methylphenyl)-2-thiocyanato-propanoate Openeye Name: isobutyl 2-methyl-3-(p-tolyl)-2-thiocyanato-propanoate CAS Name: 2-methyl-3-(4-methylphenyl)-2-thiocyanatopropanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methyl-3-(4-methylphenyl)-2-thiocyanatopropanoate Traditional Name: 2-methyl-3-(p-tolyl)-2-thiocyanato-propionic acid isobutyl ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S/c1-12(2)10-19-15(18)16(4,20-11-17)9-14-7-5-13(3)6-8-14/h5-8,12H,9-10H2,1-4H3